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CAS RN 1069132-37-1

CAS RN 1069132-37-1

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1

Glycodeoxycholic-2,2,4,4-d4 Acid, CDN

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Percent Purity 98 atom % D, min 97% Chemical Purity
CAS 1069132-37-1
Molecular Weight (g/mol) 453.65
InChI Formula InChI=1 S/C26H43NO5/c1-15(4-9-23(30)27-14-24(31)32)19-7-8-20-18-6-5-16-12-17(28)10-11-25(16,2)21(18)13-22(29)26(19,20)3/h15-22,28-29 H,4-14H2,1-3H3,(H,27,30)(H,31,32)/t15-,16-,17-,18+,19-,20+,21+,22+,25+,26-/m1/s1/i10D2,12D2
Chemical Name or Material Glycodeoxycholic Acid (2,2,4,4-d4)
SMILES [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 CC[C@@H]2 C([2 H])([2 H])[C@@H]1 O)[C@H](C)CCC(=O)NCC(=O)O
Synonym N-[(3α,5β,12α)-3,12-Dihydroxy-24-oxocholan-24-yl-2,2,4,4-d4]glycine,Glycodeoxycholic Acid-d4,Glycodeoxycholic-2,2,4,4-d4 Acid,N-[(3α,5β,12α)-3,12-Dihydroxy-24-oxocholan-24-yl-2,2,4,4-d4]-glycine
Recommended Storage Room Temperature
IUPAC Name 2-[[(4 R)-4-[(3 R,5 R,8 R,9 S,10 S,12 S,13 R,14 S,17 R)-2,2,4,4-tetradeuterio-3,12-dihydroxy-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
Molecular Formula C26 D4 H39 N O5
Formula Weight 453.3392 g/mol
2

Glycodeoxycholic Acid (2,2,4,4-d4), TRC

CAS: 1069132-37-1 Molecular Formula: C26 D4 H39 N O5 Molecular Weight (g/mol): 453.65 Synonym: N-[(3α,5β,12α)-3,12-Dihydroxy-24-oxocholan-24-yl-2,2,4,4-d4]glycine,Glycodeoxycholic Acid-d4,Glycodeoxycholic-2,2,4,4-d4 Acid,N-[(3α,5β,12α)-3,12-Dihydroxy-24-oxocholan-24-yl-2,2,4,4-d4]-glycine IUPAC Name: 2-[[(4R)-4-[(3R,5R,8R,9S,10S,12S,13R,14S,17R)-2,2,4,4-tetradeuterio-3,12-dihydroxy-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 SMILES: [2H]C1([2H])C[C@]2(C)[C@H]3C[C@H](O)[C@]4(C)[C@H](CC[C@H]4[C@@H]3CC[C@@H]2C([2H])([2H])[C@@H]1O)[C@H](C)CCC(=O)NCC(=O)O

CAS 1069132-37-1
Molecular Weight (g/mol) 453.65
SMILES [2H]C1([2H])C[C@]2(C)[C@H]3C[C@H](O)[C@]4(C)[C@H](CC[C@H]4[C@@H]3CC[C@@H]2C([2H])([2H])[C@@H]1O)[C@H](C)CCC(=O)NCC(=O)O
Synonym N-[(3α,5β,12α)-3,12-Dihydroxy-24-oxocholan-24-yl-2,2,4,4-d4]glycine,Glycodeoxycholic Acid-d4,Glycodeoxycholic-2,2,4,4-d4 Acid,N-[(3α,5β,12α)-3,12-Dihydroxy-24-oxocholan-24-yl-2,2,4,4-d4]-glycine
IUPAC Name 2-[[(4R)-4-[(3R,5R,8R,9S,10S,12S,13R,14S,17R)-2,2,4,4-tetradeuterio-3,12-dihydroxy-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
Molecular Formula C26 D4 H39 N O5