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CAS RN 1201918-15-1

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1

Glycocholic-2,2,4,4-d4 Acid, TRC

CAS: 1201918-15-1 Molekylær formel: C26 D4 H39 N O6 Molekylvægt (g/mol): 469.6474 Synonym: Glycine, N-[(3α,5β,7α,12α)-3,7,12-trihydroxy-24-oxocholan-24-yl-2,2,4,4-d4]- (ACI),N-[(3α,5β,7α,12α)-3,7,12-Trihydroxy-24-oxocholan-24-yl-2,2,4,4-d4]glycine (ACI),Glycocholic-2,2,4,4-D4 acid,Glycocholic acid-d4,Glycocholic-d4 acid,Cholyl-2,2,4,4-d4-glycine IUPAC navn: 2-[[(4R)-4-[(3R,5R,7R,8R,9S,10S,12S,13R,14S,17R)-2,2,4,4-tetradeuterio-3,7,12-trihydroxy-10,13-dimethyl-3,5,6,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-17-yl]pentanoyl]amino]acetic acid SMIL: [2H]C1([2H])C[C@]2(C)[C@H]3C[C@H](O)[C@]4(C)[C@H](CC[C@H]4[C@@H]3[C@H](O)C[C@@H]2C([2H])([2H])[C@@H]1O)[C@H](C)CCC(=O)NCC(=O)O

Molekylvægt (g/mol) 469.6474
CAS 1201918-15-1
Synonym Glycine, N-[(3α,5β,7α,12α)-3,7,12-trihydroxy-24-oxocholan-24-yl-2,2,4,4-d4]- (ACI),N-[(3α,5β,7α,12α)-3,7,12-Trihydroxy-24-oxocholan-24-yl-2,2,4,4-d4]glycine (ACI),Glycocholic-2,2,4,4-D4 acid,Glycocholic acid-d4,Glycocholic-d4 acid,Cholyl-2,2,4,4-d4-glycine
SMIL [2H]C1([2H])C[C@]2(C)[C@H]3C[C@H](O)[C@]4(C)[C@H](CC[C@H]4[C@@H]3[C@H](O)C[C@@H]2C([2H])([2H])[C@@H]1O)[C@H](C)CCC(=O)NCC(=O)O
IUPAC navn 2-[[(4R)-4-[(3R,5R,7R,8R,9S,10S,12S,13R,14S,17R)-2,2,4,4-tetradeuterio-3,7,12-trihydroxy-10,13-dimethyl-3,5,6,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-17-yl]pentanoyl]amino]acetic acid
Molekylær formel C26 D4 H39 N O6
2

Glycocholic-2,2,4,4-d4 Acid, CDN

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Kemisk navn eller materiale Glycocholic-2,2,4,4-d4 Acid
Anbefalet opbevaring Room Temperature
Molekylvægt (g/mol) 469.6474
InChI formel InChI=1 S/C26H43NO6/c1-14(4-7-22(31)27-13-23(32)33)17-5-6-18-24-19(12-21(30)26(17,18)3)25(2)9-8-16(28)10-15(25)11-20(24)29/h14-21,24,28-30 H,4-13H2,1-3H3,(H,27,31)(H,32,33)/t14-,15+,16-,17-,18+,19+,20-,21+,24+,25+,26-/m1/s1/i8D2,10D2
CAS 1201918-15-1
Formel vægt 469.3341 g/mol
Synonym Glycine, N-[(3α,5β,7α,12α)-3,7,12-trihydroxy-24-oxocholan-24-yl-2,2,4,4-d4]- (ACI),N-[(3α,5β,7α,12α)-3,7,12-Trihydroxy-24-oxocholan-24-yl-2,2,4,4-d4]glycine (ACI),Glycocholic-2,2,4,4-D4 acid,Glycocholic acid-d4,Glycocholic-d4 acid,Cholyl-2,2,4,4-d4-glycine
Procent renhed 98 atom % D, min 98% Chemical Purity
SMIL [2 H]C1([2 H])C[C@]2(C)[C@H]3 C[C@H](O)[C@]4(C)[C@H](CC[C@H]4 [C@@H]3 [C@H](O)C[C@@H]2 C([2 H])([2 H])[C@@H]1 O)[C@H](C)CCC(=O)NCC(=O)O
IUPAC navn 2-[[(4 R)-4-[(3 R,5 R,7 R,8 R,9 S,10 S,12 S,13 R,14 S,17 R)-2,2,4,4-tetradeuterio-3,7,12-trihydroxy-10,13-dimethyl-3,5,6,7,8,9,11,12,14,15,16,17-dodecahydro-1 H-cyclopenta[a]phenanthren-17-yl]pentanoyl]amino]acetic acid
Molekylær formel C26 D4 H39 N O6