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CAS RN 67526-95-8

H3COO(S)(S)OOCH3H3C(S)OO(S)CH3OH(R)OH(S)(S)H3COH3CO(R)OOCH3CH3(Z)

CAS RN 67526-95-8

IUPAC Navn: (3S,3aR,4S,6S,6aR,7S,8S,9bS)-6-(acetyloxy)-4-(butanoyloxy)-3,3a-dihydroxy-3,6,9-trimethyl-8-{[(2Z)-2-methylbut-2-enoyl]oxy}-2-oxo-2H,3H,3aH,4H,5H,6H,6aH,7H,8H,9bH-azuleno[4,5-b]furan-7-yl octanoate
Synonymer: thapsigargin thapsigargine
Molekylvægt (g/mol): 650.76
Molekylformel: C34H50O12
InChi Key: IXFPJGBNCFXKPI-FSIHEZPISA-N
SMILES: CCCCCCCC(=O)O[C@@H]1[C@@H](OC(=O)C(\C)=C/C)C(C)=C2[C@@H]3OC(=O)[C@@](C)(O)[C@@]3(O)[C@H](C[C@](C)(OC(C)=O)[C@@H]12)OC(=O)CCC
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1

Thapsigargin, 95%

CAS: 67526-95-8 Molekylær formel: C34H50O12 Molekylvægt (g/mol): 650.76 MDL nummer: MFCD00083511 InChI nøgle: IXFPJGBNCFXKPI-FSIHEZPISA-N PubChem CID: 126969181 SMIL: CCCCCCCC(=O)O[C@@H]1[C@@H](OC(=O)C(\C)=C/C)C(C)=C2[C@@H]3OC(=O)[C@@](C)(O)[C@@]3(O)[C@H](C[C@](C)(OC(C)=O)[C@@H]12)OC(=O)CCC

MDL nummer MFCD00083511
PubChem CID 126969181
Molekylvægt (g/mol) 650.76
CAS 67526-95-8
SMIL CCCCCCCC(=O)O[C@@H]1[C@@H](OC(=O)C(\C)=C/C)C(C)=C2[C@@H]3OC(=O)[C@@](C)(O)[C@@]3(O)[C@H](C[C@](C)(OC(C)=O)[C@@H]12)OC(=O)CCC
InChI nøgle IXFPJGBNCFXKPI-FSIHEZPISA-N
Molekylær formel C34H50O12
2

Thapsigargin, 97%

CAS: 67526-95-8 Molekylær formel: C34H50O12 Molekylvægt (g/mol): 650.76 MDL nummer: MFCD00083511 InChI nøgle: IXFPJGBNCFXKPI-FSIHEZPISA-N PubChem CID: 126969181 IUPAC navn: [(3S,3aR,4S,6S,6aS,7S,8S,9bR)-6-acetyloxy-4-butanoyloxy-3,3a-dihydroxy-3,6,9-trimethyl-8-(2-methylbut-2-enoyloxy)-2-oxo-4,5,6a,7,8,9b]furan-7-hydroazuleno-7- 7,8,9b]-furan-7,9 octanoat SMIL: CCCCCCCC(=O)O[C@@H]1[C@@H](OC(=O)C(\C)=C/C)C(C)=C2[C@@H]3OC(=O)[C@@](C)(O)[C@@]3(O)[C@H](C[C@](C)(OC(C)=O)[C@@H]12)OC(=O)CCC

MDL nummer MFCD00083511
PubChem CID 126969181
Molekylvægt (g/mol) 650.76
CAS 67526-95-8
SMIL CCCCCCCC(=O)O[C@@H]1[C@@H](OC(=O)C(\C)=C/C)C(C)=C2[C@@H]3OC(=O)[C@@](C)(O)[C@@]3(O)[C@H](C[C@](C)(OC(C)=O)[C@@H]12)OC(=O)CCC
IUPAC navn [(3S,3aR,4S,6S,6aS,7S,8S,9bR)-6-acetyloxy-4-butanoyloxy-3,3a-dihydroxy-3,6,9-trimethyl-8-(2-methylbut-2-enoyloxy)-2-oxo-4,5,6a,7,8,9b]furan-7-hydroazuleno-7- 7,8,9b]-furan-7,9 octanoat
InChI nøgle IXFPJGBNCFXKPI-FSIHEZPISA-N
Molekylær formel C34H50O12
4

Thapsigargin, TRC

CAS: 67526-95-8 Molekylær formel: C34 H50 O12 Molekylvægt (g/mol): 650.75 Synonym: Octanoic acid, (3S,3aR,4S,6S,6aR,7S,8S,9bS)-6-(acetyloxy)-2,3,3a,4,5,6,6a,7,8,9b-decahydro-3,3a-dihydroxy-3,6,9-trimethyl-8-[[(2Z)-2-methyl-1-oxo-2-butenyl]oxy]-2-oxo-4-(1-oxobutoxy)azuleno[4,5-b]furan-7-yl ester (9CI),Octanoic acid, 6-(acetyloxy)-2,3,3a,4,5,6,6a,7,8,9b-decahydro-3,3a-dihydroxy-3,6,9-trimethyl-8-[(2-methyl-1-oxo-2-butenyl)oxy]-2-oxo-4-(1-oxobutoxy)azuleno[4,5-b]furan-7-yl ester, [3S-[3α,3aβ,4α,6β,6aβ,7β,8α(Z),9bα]]-,Azuleno[4,5-b]furan, octanoic acid deriv.,(-)-Thapsigargin,Thapsigargin IUPAC navn: [(3S,3aR,4S,6S,6aR,7S,8S,9bS)-6-acetyloxy-4-butanoyloxy-3,3a-dihydroxy-3,6,9-trimethyl-8-[(Z)-2-methylbut-2-enoyl]oxy-2-oxo-4,5,6a,7,8,9b-hexahydroazuleno[4,5-b]furan-7-yl] octanoate SMIL: CCCCCCCC(=O)O[C@@H]1[C@@H](OC(=O)\C(=C/C)\C)C(=C2[C@@H]3OC(=O)[C@@](C)(O)[C@@]3(O)[C@H](C[C@](C)(OC(=O)C)[C@@H]12)OC(=O)CCC)C

Molekylvægt (g/mol) 650.75
CAS 67526-95-8
Synonym Octanoic acid, (3S,3aR,4S,6S,6aR,7S,8S,9bS)-6-(acetyloxy)-2,3,3a,4,5,6,6a,7,8,9b-decahydro-3,3a-dihydroxy-3,6,9-trimethyl-8-[[(2Z)-2-methyl-1-oxo-2-butenyl]oxy]-2-oxo-4-(1-oxobutoxy)azuleno[4,5-b]furan-7-yl ester (9CI),Octanoic acid, 6-(acetyloxy)-2,3,3a,4,5,6,6a,7,8,9b-decahydro-3,3a-dihydroxy-3,6,9-trimethyl-8-[(2-methyl-1-oxo-2-butenyl)oxy]-2-oxo-4-(1-oxobutoxy)azuleno[4,5-b]furan-7-yl ester, [3S-[3α,3aβ,4α,6β,6aβ,7β,8α(Z),9bα]]-,Azuleno[4,5-b]furan, octanoic acid deriv.,(-)-Thapsigargin,Thapsigargin
SMIL CCCCCCCC(=O)O[C@@H]1[C@@H](OC(=O)\C(=C/C)\C)C(=C2[C@@H]3OC(=O)[C@@](C)(O)[C@@]3(O)[C@H](C[C@](C)(OC(=O)C)[C@@H]12)OC(=O)CCC)C
IUPAC navn [(3S,3aR,4S,6S,6aR,7S,8S,9bS)-6-acetyloxy-4-butanoyloxy-3,3a-dihydroxy-3,6,9-trimethyl-8-[(Z)-2-methylbut-2-enoyl]oxy-2-oxo-4,5,6a,7,8,9b-hexahydroazuleno[4,5-b]furan-7-yl] octanoate
Molekylær formel C34 H50 O12
5

Thapsigargin, MedChemExpress

MedChemExpress Thapsigargin, an endoplasmic reticulum (ER) stress inducer, is an inhibitor of microsomal Ca2+-ATPase. Thapsigargin efficiently inhibits coronavirus (HCoV-229E, MERS-CoV, SARS-CoV-2) replication in different cell types.

ENCOMPASS_PREFERRED
Kemisk navn eller materiale Thapsigargin
Formel vægt 650.75
Opløselighedsinformation DMSO : 100 mg/mL (153.67 mM; Need ultrasonic)
Procent renhed 99.0%
Fysisk form Solid
Farve White
Grad Research
Anbefalet opbevaring -20°C, sealed storage, away from moisture and light∣In solvent : -80°C, 6 months∣-20°C, 1 month (sealed storage, away from moisture and light)
Molekylvægt (g/mol) 650.75
CAS 67526-95-8
Holdbarhed -20°C, sealed storage, away from moisture and light∣In solvent : -80°C, 6 months∣-20°C, 1 month (sealed storage, away from moisture and light)
SMIL CCCCCCCC(O[C@@H]1[C@@H](OC(/C(C)=C\C)=O)C(C)=C2[C@@]1([H])[C@@](C)(OC(C)=O)C[C@H](OC(CCC)=O)[C@@]([C@@]3(O)C)(O)[C@@]2([H])OC3=O)=O
Renhedsgrad noter Research
Molekylær formel C34H50O12
Til brug med (applikation) Cancer-programmed cell death