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Diterpenoids

Diterpenoids

A large, structurally diverse class of natural products derived from four C5 isoprene units joined in a head-tail format; the basis of biologically important compounds such as retinol, retinal, and phytol; antimicrobial and anti-inflammatory.
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1 – 15 of 19 results
1

Thermo Scientific Alfa Aesar Isophytol, 95%

CAS: 505-32-8 Molecular Formula: C20H40O Molecular Weight (g/mol): 296.539 MDL Number: MFCD00048380 InChI Key: KEVYVLWNCKMXJX-UHFFFAOYSA-N Synonym: isophytol,3,7,11,15-tetramethyl-1-hexadecen-3-ol,1-hexadecen-3-ol, 3,7,11,15-tetramethyl,2,6,10,14-tetramethylhexadec-15-en-14-ol,2,6,10-trimethyl-14-vinylpentadecan-14-ol,1-hexadecene-3-ol, 3,7,11,15-tetramethyl,1-phyten-3-ol,iso-phytol,dsstox_cid_5474 PubChem CID: 10453 IUPAC Name: 3,7,11,15-tetramethylhexadec-1-en-3-ol SMILES: CC(C)CCCC(C)CCCC(C)CCCC(C)(C=C)O

PubChem CID 10453
CAS 505-32-8
Molecular Weight (g/mol) 296.539
MDL Number MFCD00048380
SMILES CC(C)CCCC(C)CCCC(C)CCCC(C)(C=C)O
Synonym isophytol,3,7,11,15-tetramethyl-1-hexadecen-3-ol,1-hexadecen-3-ol, 3,7,11,15-tetramethyl,2,6,10,14-tetramethylhexadec-15-en-14-ol,2,6,10-trimethyl-14-vinylpentadecan-14-ol,1-hexadecene-3-ol, 3,7,11,15-tetramethyl,1-phyten-3-ol,iso-phytol,dsstox_cid_5474
IUPAC Name 3,7,11,15-tetramethylhexadec-1-en-3-ol
InChI Key KEVYVLWNCKMXJX-UHFFFAOYSA-N
Molecular Formula C20H40O
2

Thermo Scientific Chemicals Paclitaxel, 99+%

CAS: 33069-62-4 Molecular Formula: C47H51NO14 Molecular Weight (g/mol): 853.92 MDL Number: MFCD00869953 InChI Key: RCINICONZNJXQF-VAZQATRQSA-N Synonym: paclitaxel,taxol,taxol a,abraxane,paxene,paxceed,plaxicel,yewtaxan,onxol,ebetaxel PubChem CID: 133640187 IUPAC Name: (1S,2S,4S,7R,9S,10S,12R,15S)-4,12-bis(acetyloxy)-1,9-dihydroxy-15-{[(2R,3S)-2-hydroxy-3-phenyl-3-(phenylformamido)propanoyl]oxy}-10,14,17,17-tetramethyl-11-oxo-6-oxatetracyclo[11.3.1.0³,¹⁰.0⁴,⁷]heptadec-13-en-2-yl benzoate SMILES: CC(=O)O[C@@H]1C2=C(C)[C@H](C[C@@](O)([C@@H](OC(=O)C3=CC=CC=C3)C3[C@@]4(CO[C@@H]4C[C@H](O)[C@@]3(C)C1=O)OC(C)=O)C2(C)C)OC(=O)[C@H](O)[C@@H](NC(=O)C1=CC=CC=C1)C1=CC=CC=C1

PubChem CID 133640187
CAS 33069-62-4
Molecular Weight (g/mol) 853.92
MDL Number MFCD00869953
SMILES CC(=O)O[C@@H]1C2=C(C)[C@H](C[C@@](O)([C@@H](OC(=O)C3=CC=CC=C3)C3[C@@]4(CO[C@@H]4C[C@H](O)[C@@]3(C)C1=O)OC(C)=O)C2(C)C)OC(=O)[C@H](O)[C@@H](NC(=O)C1=CC=CC=C1)C1=CC=CC=C1
Synonym paclitaxel,taxol,taxol a,abraxane,paxene,paxceed,plaxicel,yewtaxan,onxol,ebetaxel
IUPAC Name (1S,2S,4S,7R,9S,10S,12R,15S)-4,12-bis(acetyloxy)-1,9-dihydroxy-15-{[(2R,3S)-2-hydroxy-3-phenyl-3-(phenylformamido)propanoyl]oxy}-10,14,17,17-tetramethyl-11-oxo-6-oxatetracyclo[11.3.1.0³,¹⁰.0⁴,⁷]heptadec-13-en-2-yl benzoate
InChI Key RCINICONZNJXQF-VAZQATRQSA-N
Molecular Formula C47H51NO14
3

Thermo Scientific Acros 2,6,10,14-Tetramethylpentadecane, 95%

CAS: 1921-70-6 Molecular Formula: C19H40 Molecular Weight (g/mol): 268.51 InChI Key: XOJVVFBFDXDTEG-UHFFFAOYSA-N Synonym: pristane,norphytane,bute hydrocarbon,norphytan,pristan,pentadecane, 2,6,10,14-tetramethyl,meso-pristane,2,6,10,10-tetramethylpentadecane,meso-form,norphytane, robuoy PubChem CID: 15979 ChEBI: CHEBI:53181 IUPAC Name: 2,6,10,14-tetramethylpentadecane SMILES: CC(C)CCCC(C)CCCC(C)CCCC(C)C

PubChem CID 15979
CAS 1921-70-6
Molecular Weight (g/mol) 268.51
ChEBI CHEBI:53181
SMILES CC(C)CCCC(C)CCCC(C)CCCC(C)C
Synonym pristane,norphytane,bute hydrocarbon,norphytan,pristan,pentadecane, 2,6,10,14-tetramethyl,meso-pristane,2,6,10,10-tetramethylpentadecane,meso-form,norphytane, robuoy
IUPAC Name 2,6,10,14-tetramethylpentadecane
InChI Key XOJVVFBFDXDTEG-UHFFFAOYSA-N
Molecular Formula C19H40
4

Thermo Scientific Chemicals Docetaxel, 98%

CAS: 114977-28-5 Molecular Formula: C43H53NO14 Molecular Weight (g/mol): 807.88 InChI Key: ZDZOTLJHXYCWBA-VCVYQWHSSA-N Synonym: docetaxel,taxotere,docetaxel anhydrous,docetaxol,emdoc,docetaxel, trihydrate,docetaxel inn,taxotere tn,unii-699121phca,txl PubChem CID: 148124 ChEBI: CHEBI:4672 SMILES: CC1=C2C(C(=O)C3(C(CC4C(C3C(C(C2(C)C)(CC1OC(=O)C(C(C5=CC=CC=C5)NC(=O)OC(C)(C)C)O)O)OC(=O)C6=CC=CC=C6)(CO4)OC(=O)C)O)C)O

PubChem CID 148124
CAS 114977-28-5
Molecular Weight (g/mol) 807.88
ChEBI CHEBI:4672
SMILES CC1=C2C(C(=O)C3(C(CC4C(C3C(C(C2(C)C)(CC1OC(=O)C(C(C5=CC=CC=C5)NC(=O)OC(C)(C)C)O)O)OC(=O)C6=CC=CC=C6)(CO4)OC(=O)C)O)C)O
Synonym docetaxel,taxotere,docetaxel anhydrous,docetaxol,emdoc,docetaxel, trihydrate,docetaxel inn,taxotere tn,unii-699121phca,txl
InChI Key ZDZOTLJHXYCWBA-VCVYQWHSSA-N
Molecular Formula C43H53NO14
5

Thermo Scientific Acros Geranyl linalool, ca. 95%, Tech., mixture of isomers

CAS: 1113-21-9 Molecular Formula: C20H34O Molecular Weight (g/mol): 290.49 MDL Number: MFCD00059363 InChI Key: IQDXAJNQKSIPGB-HQSZAHFGNA-N Synonym: geranyl linalool,geranyllinalool,3,7,11,15-tetramethyl-1,6,10,14-hexadecatetraen-3-ol,e,e-geranyllinalool,6e,10e-geranyllinalool,3,7,11,15-tetramethylhexadeca-1,6,10,14-tetraen-3-ol,6e,10e-3,7,11,15-tetramethylhexadeca-1,6,10,14-tetraen-3-ol,e,e-3,7,11,15-tetramethylhexadeca-1,6,10,14-tetraen-3-ol,1,6,10,14-hexadecatetraen-3-ol, 3,7,11,15-tetramethyl-, 6e,10e,1,6,10,14-hexadecatetraen-3-ol, 3,7,11,15-tetramethyl PubChem CID: 5365872 ChEBI: CHEBI:74299 IUPAC Name: (6E,10E)-3,7,11,15-tetramethylhexadeca-1,6,10,14-tetraen-3-ol SMILES: CC(C)=CCC\C(C)=C\CC\C(C)=C\CCC(C)(O)C=C

PubChem CID 5365872
CAS 1113-21-9
Molecular Weight (g/mol) 290.49
ChEBI CHEBI:74299
MDL Number MFCD00059363
SMILES CC(C)=CCC\C(C)=C\CC\C(C)=C\CCC(C)(O)C=C
Synonym geranyl linalool,geranyllinalool,3,7,11,15-tetramethyl-1,6,10,14-hexadecatetraen-3-ol,e,e-geranyllinalool,6e,10e-geranyllinalool,3,7,11,15-tetramethylhexadeca-1,6,10,14-tetraen-3-ol,6e,10e-3,7,11,15-tetramethylhexadeca-1,6,10,14-tetraen-3-ol,e,e-3,7,11,15-tetramethylhexadeca-1,6,10,14-tetraen-3-ol,1,6,10,14-hexadecatetraen-3-ol, 3,7,11,15-tetramethyl-, 6e,10e,1,6,10,14-hexadecatetraen-3-ol, 3,7,11,15-tetramethyl
IUPAC Name (6E,10E)-3,7,11,15-tetramethylhexadeca-1,6,10,14-tetraen-3-ol
InChI Key IQDXAJNQKSIPGB-HQSZAHFGNA-N
Molecular Formula C20H34O
6

Thermo Scientific Alfa Aesar Farnesylacetone, mixture of isomers, 97%

CAS: 762-29-8 Molecular Formula: C18H30O Molecular Weight (g/mol): 262.437 MDL Number: MFCD00036517 InChI Key: LTUMRKDLVGQMJU-IUBLYSDUSA-N Synonym: farnesyl acetone,5e,9e-6,10,14-trimethylpentadeca-5,9,13-trien-2-one,farnesylacetone,e,e-farnesylacetone,unii-3s0g4n267h,e,e-6,10,14-trimethylpentadeca-5,9,13-trien-2-one,trans,trans-farnesylacetone,5,9,13-pentadecatrien-2-one, 6,10,14-trimethyl-, e,e,2,6,10-trimethyl-2,6,10-pentadecatrien-14-one,5,9,13-pentadecatriene-2-one, 6,10,14-trimethyl PubChem CID: 1711945 ChEBI: CHEBI:67252 IUPAC Name: (5E,9E)-6,10,14-trimethylpentadeca-5,9,13-trien-2-one SMILES: CC(=CCCC(=CCCC(=CCCC(=O)C)C)C)C

PubChem CID 1711945
CAS 762-29-8
Molecular Weight (g/mol) 262.437
ChEBI CHEBI:67252
MDL Number MFCD00036517
SMILES CC(=CCCC(=CCCC(=CCCC(=O)C)C)C)C
Synonym farnesyl acetone,5e,9e-6,10,14-trimethylpentadeca-5,9,13-trien-2-one,farnesylacetone,e,e-farnesylacetone,unii-3s0g4n267h,e,e-6,10,14-trimethylpentadeca-5,9,13-trien-2-one,trans,trans-farnesylacetone,5,9,13-pentadecatrien-2-one, 6,10,14-trimethyl-, e,e,2,6,10-trimethyl-2,6,10-pentadecatrien-14-one,5,9,13-pentadecatriene-2-one, 6,10,14-trimethyl
IUPAC Name (5E,9E)-6,10,14-trimethylpentadeca-5,9,13-trien-2-one
InChI Key LTUMRKDLVGQMJU-IUBLYSDUSA-N
Molecular Formula C18H30O
8

MP Biomedicals Crocetin, free acid, >90%, MP Biomedicals™

CAS: 27876-94-4 Molecular Formula: C20H24O4 Molecular Weight (g/mol): 328.408 InChI Key: PANKHBYNKQNAHN-MQQNZMFNSA-N Synonym: crocetin,trans-crocetin,8,8'-diapocarotenedioic acid,natural yellow 6,8,8'-diapocarotene-8,8'-dioic acid,8,8'-diapo-psi,psi-carotenedioic acid,ccris 7484,unii-20tc155l9c,2e,4e,6e,8e,10e,12e,14e-2,6,11,15-tetramethylhexadeca-2,4,6,8,10,12,14-heptaenedioic acid,.alpha.-crocetin PubChem CID: 5281232 ChEBI: CHEBI:3918 IUPAC Name: (2E,4E,6E,8E,10E,12E,14E)-2,6,11,15-tetramethylhexadeca-2,4,6,8,10,12,14-heptaenedioic acid SMILES: CC(=CC=CC=C(C)C=CC=C(C)C(=O)O)C=CC=C(C)C(=O)O

PubChem CID 5281232
CAS 27876-94-4
Molecular Weight (g/mol) 328.408
ChEBI CHEBI:3918
SMILES CC(=CC=CC=C(C)C=CC=C(C)C(=O)O)C=CC=C(C)C(=O)O
Synonym crocetin,trans-crocetin,8,8'-diapocarotenedioic acid,natural yellow 6,8,8'-diapocarotene-8,8'-dioic acid,8,8'-diapo-psi,psi-carotenedioic acid,ccris 7484,unii-20tc155l9c,2e,4e,6e,8e,10e,12e,14e-2,6,11,15-tetramethylhexadeca-2,4,6,8,10,12,14-heptaenedioic acid,.alpha.-crocetin
IUPAC Name (2E,4E,6E,8E,10E,12E,14E)-2,6,11,15-tetramethylhexadeca-2,4,6,8,10,12,14-heptaenedioic acid
InChI Key PANKHBYNKQNAHN-MQQNZMFNSA-N
Molecular Formula C20H24O4
9

Tocris Taxol, Tocris Bioscience™
GREENER_CHOICE

CAS: 33069-62-4 Molecular Formula: C47H51NO14 Molecular Weight (g/mol): 853.92 MDL Number: MFCD00869953 InChI Key: RCINICONZNJXQF-VAZQATRQSA-N Synonym: paclitaxel,taxol,taxol a,abraxane,paxene,paxceed,plaxicel,yewtaxan,onxol,ebetaxel PubChem CID: 133640187 IUPAC Name: (1S,2S,4S,7R,9S,10S,12R,15S)-4,12-bis(acetyloxy)-1,9-dihydroxy-15-{[(2R,3S)-2-hydroxy-3-phenyl-3-(phenylformamido)propanoyl]oxy}-10,14,17,17-tetramethyl-11-oxo-6-oxatetracyclo[11.3.1.0³,¹⁰.0⁴,⁷]heptadec-13-en-2-yl benzoate SMILES: CC(=O)O[C@@H]1C2=C(C)[C@H](C[C@@](O)([C@@H](OC(=O)C3=CC=CC=C3)C3[C@@]4(CO[C@@H]4C[C@H](O)[C@@]3(C)C1=O)OC(C)=O)C2(C)C)OC(=O)[C@H](O)[C@@H](NC(=O)C1=CC=CC=C1)C1=CC=CC=C1

PubChem CID 133640187
CAS 33069-62-4
Molecular Weight (g/mol) 853.92
MDL Number MFCD00869953
SMILES CC(=O)O[C@@H]1C2=C(C)[C@H](C[C@@](O)([C@@H](OC(=O)C3=CC=CC=C3)C3[C@@]4(CO[C@@H]4C[C@H](O)[C@@]3(C)C1=O)OC(C)=O)C2(C)C)OC(=O)[C@H](O)[C@@H](NC(=O)C1=CC=CC=C1)C1=CC=CC=C1
Synonym paclitaxel,taxol,taxol a,abraxane,paxene,paxceed,plaxicel,yewtaxan,onxol,ebetaxel
IUPAC Name (1S,2S,4S,7R,9S,10S,12R,15S)-4,12-bis(acetyloxy)-1,9-dihydroxy-15-{[(2R,3S)-2-hydroxy-3-phenyl-3-(phenylformamido)propanoyl]oxy}-10,14,17,17-tetramethyl-11-oxo-6-oxatetracyclo[11.3.1.0³,¹⁰.0⁴,⁷]heptadec-13-en-2-yl benzoate
InChI Key RCINICONZNJXQF-VAZQATRQSA-N
Molecular Formula C47H51NO14
10

Tocris Docetaxel, Tocris Bioscience™
GREENER_CHOICE

CAS: 114977-28-5 Molecular Formula: C43H53NO14 Molecular Weight (g/mol): 807.89 InChI Key: ZDZOTLJHXYCWBA-VCVYQWHSSA-N Synonym: docetaxel,taxotere,docetaxel anhydrous,docetaxol,emdoc,docetaxel, trihydrate,docetaxel inn,taxotere tn,unii-699121phca,txl PubChem CID: 148124 ChEBI: CHEBI:4672 SMILES: CC1=C2C(C(=O)C3(C(CC4C(C3C(C(C2(C)C)(CC1OC(=O)C(C(C5=CC=CC=C5)NC(=O)OC(C)(C)C)O)O)OC(=O)C6=CC=CC=C6)(CO4)OC(=O)C)O)C)O

PubChem CID 148124
CAS 114977-28-5
Molecular Weight (g/mol) 807.89
ChEBI CHEBI:4672
SMILES CC1=C2C(C(=O)C3(C(CC4C(C3C(C(C2(C)C)(CC1OC(=O)C(C(C5=CC=CC=C5)NC(=O)OC(C)(C)C)O)O)OC(=O)C6=CC=CC=C6)(CO4)OC(=O)C)O)C)O
Synonym docetaxel,taxotere,docetaxel anhydrous,docetaxol,emdoc,docetaxel, trihydrate,docetaxel inn,taxotere tn,unii-699121phca,txl
InChI Key ZDZOTLJHXYCWBA-VCVYQWHSSA-N
Molecular Formula C43H53NO14
12

Medchem Express 20-Deoxyingenol, MedChemExpress

MedChemExpress 20-Deoxyingenol, a diterpene, is isolated from the roots of Euphorbia kansui. 20-Deoxyingenol can promote autophagy and lysosomal biogenesis by promoting the nuclear translocation of transcription factor EB (TFEB) in vitro. 20-Deoxyingenol can be used for the research of osteoarthritis (OA).

ENCOMPASS_PREFERRED
Molecular Weight (g/mol) 332.43
Color White
Physical Form Solid
Chemical Name or Material 20-Deoxyingenol
Grade Research
SMILES O=C1[C@@]2(C=C(C)[C@@H]3O)[C@]3(O)[C@H](O)C(C)=C[C@@]1([H])[C@@]4([H])[C@@](C4(C)C)([H])C[C@H]2C
Percent Purity 98.0%
CAS 54706-99-9
Solubility Information DMSO : 50 mg/mL (150.41 mM; Need ultrasonic)
Purity Grade Notes Research
Recommended Storage Powder -20°C 3 years, 4°C 2 years∣In solvent -80°C 6 months, -20°C 1 month
Shelf Life Powder -20°C 3 years, 4°C 2 years∣In solvent -80°C 6 months, -20°C 1 month
Molecular Formula C20H28O4
Formula Weight 332.43
13

Medchem Express Cryptotanshinone, MedChemExpress

MedChemExpress Cryptotanshinone is a natural compound extracted from the root of Salvia miltiorrhiza Bunge that shows antitumor activities. Cryptotanshinone inhibits STAT3 with an IC50 of 4.6 μM.

ENCOMPASS_PREFERRED
Molecular Weight (g/mol) 296.36
Color Orange
Physical Form Powder
Chemical Name or Material Cryptotanshinone
Grade Research
SMILES O=C(C1=C2C=CC3=C1CCCC3(C)C)C(C4=C2OC[C@@H]4C)=O
For Use With (Application) Cancer-Kinase/protease
Percent Purity 98.02%
CAS 35825-57-1
Solubility Information DMSO : 2 mg/mL (6.75 mM; ultrasonic and warming and heat to 80°C) ∣H2O : < 0.1 mg/mL (insoluble)
Health Hazard 1 H301∣H410
Synonym Cryptotanshinon Tanshinone c
Purity Grade Notes Research
Recommended Storage Powder -20°C 3 years, 4°C 2 years∣In solvent -80°C 6 months, -20°C 1 month
Shelf Life Powder -20°C 3 years, 4°C 2 years∣In solvent -80°C 6 months, -20°C 1 month
Molecular Formula C19H20O3
Formula Weight 296.36
14

Medchem Express Tanshinone I, MedChemExpress

MedChemExpress Tanshinone I is an inhibitor of type IIA human recombinant sPLA2 (IC50=11 μM) and rabbit recombinant cPLA2 (IC50=82 μM).

ENCOMPASS_PREFERRED
Molecular Weight (g/mol) 276.29
Color Dark Brown
Physical Form Solid
Chemical Name or Material Tanshinone I
Grade Research
SMILES O=C(C1=C2C=CC3=C1C=CC=C3C)C(C4=C2OC=C4C)=O
For Use With (Application) COVID-19-immunoregulation
Percent Purity 98.0%
CAS 568-73-0
Solubility Information DMSO : 2 mg/mL (7.24 mM; Need ultrasonic)
Synonym Tanshinone A
Purity Grade Notes Research
Recommended Storage Powder -20°C 3 years, 4°C 2 years∣In solvent -80°C 6 months, -20°C 1 month
Shelf Life Powder -20°C 3 years, 4°C 2 years∣In solvent -80°C 6 months, -20°C 1 month
Molecular Formula C18H12O3
Formula Weight 276.29
15

Medchem Express Tanshinone IIA, MedChemExpress

MedChemExpress Tanshinone IIA (Tan IIA) is one of the main compositions in the root of red-rooted salvia. Tanshinone IIA may suppress angiogenesis by targeting the protein kinase domains of VEGF/VEGFR2.

ENCOMPASS_PREFERRED
Molecular Weight (g/mol) 294.34
Color Red
Physical Form Solid
Chemical Name or Material Tanshinone IIA
Grade Research
SMILES O=C(C1=C2C=CC3=C1CCCC3(C)C)C(C4=C2OC=C4C)=O
For Use With (Application) COVID-19-immunoregulation
Percent Purity 99.17%
CAS 568-72-9
Solubility Information DMSO : 100 mg/mL (339.74 mM; Need ultrasonic)
Synonym Dan Shen ketone
Purity Grade Notes Research
Recommended Storage Powder -20°C 3 years, 4°C 2 years∣The compound is unstable in solutions, freshly prepared is recommended.
Shelf Life Powder -20°C 3 years, 4°C 2 years∣The compound is unstable in solutions, freshly prepared is recommended.
Molecular Formula C19H18O3
Formula Weight 294.34