CAS RN 1192657-83-2

IUPAC Name: 2-(4-{4,7,11-trihydroxy-9a,11a-dimethyl-hexadecahydro-1H-cyclopenta[a]phenanthren-1-yl}pentanamido)acetic acid hydrate

Synonyms: glycocholic acid hydrate

Molecular Weight (g/mol): 483.65

Molecular Formula: C26H45NO7

InChi Key: WDKPRHOCWKLQPK-UHFFFAOYNA-N

SMILES: O.CC(CCC(=O)NCC(O)=O)C1CCC2C3C(O)CC4CC(O)CCC4(C)C3CC(O)C12C

Molecular Weight (g/mol)

Percent Purity

Quantity

CAS: 1192657-83-2 Molecular Formula: C26 H43 N O6 . x[H2 O] Molecular Weight (g/mol): 465.52 Synonym: N-[(3α,5β,7α,12α)-3,7,12-Trihydroxy-24-oxocholan-24-yl]glycine Hydrate,N-Choloylglycine-d4,Glycoreductodehydrocholic Acid Hydrate,3α,7α,12α-Trihydroxy-5β-cholanic αcid-24-glycine Hydrate,Cholylglycine Hydrate,Glycine Cholate Hydrate; IUPAC Name: 2-[[(4R)-4-[(3R,5S,7R,8R,9S,10S,12S,13R,14S,17R)-3,7,12-trihydroxy-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl]pentanoyl]amino]acetic acid;hydrate SMILES: O.C[C@H](CCC(=O)NCC(=O)O)[C@H]1CC[C@H]2[C@@H]3[C@H](O)C[C@@H]4C[C@H](O)CC[C@]4(C)[C@H]3C[C@H](O)[C@]12C

Pricing and Availability
Specifications

CAS	1192657-83-2
Molecular Weight (g/mol)	465.52
SMILES	O.C[C@H](CCC(=O)NCC(=O)O)[C@H]1CC[C@H]2[C@@H]3[C@H](O)C[C@@H]4C[C@H](O)CC[C@]4(C)[C@H]3C[C@H](O)[C@]12C
Synonym	N-[(3α,5β,7α,12α)-3,7,12-Trihydroxy-24-oxocholan-24-yl]glycine Hydrate,N-Choloylglycine-d4,Glycoreductodehydrocholic Acid Hydrate,3α,7α,12α-Trihydroxy-5β-cholanic αcid-24-glycine Hydrate,Cholylglycine Hydrate,Glycine Cholate Hydrate;
IUPAC Name	2-[[(4R)-4-[(3R,5S,7R,8R,9S,10S,12S,13R,14S,17R)-3,7,12-trihydroxy-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl]pentanoyl]amino]acetic acid;hydrate
Molecular Formula	C26 H43 N O6 . x[H2 O]

CAS RN 1192657-83-2

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