URSODEOXYCHOLIC ACID 3-O-.BETA.-D-GLUCOPYRANOSIDURONIDE

Details

Stereochemistry	ABSOLUTE
Molecular Formula	C30H48O10
Molecular Weight	568.6961
Optical Activity	UNSPECIFIED
Defined Stereocenters	15 / 15
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure of URSODEOXYCHOLIC ACID 3-O-.BETA.-D-GLUCOPYRANOSIDURONIDE

Structure Search

SMILES

C[C@H](CCC(O)=O)[C@H]1CC[C@H]2[C@@H]3[C@@H](O)C[C@@H]4C[C@@H](CC[C@]4(C)[C@H]3CC[C@]12C)O[C@@H]5O[C@@H]([C@@H](O)[C@H](O)[C@H]5O)C(O)=O

InChI

InChIKey=GDNGOAUIUTXUES-HRDSWUDVSA-N

InChI=1S/C30H48O10/c1-14(4-7-21(32)33)17-5-6-18-22-19(9-11-30(17,18)3)29(2)10-8-16(12-15(29)13-20(22)31)39-28-25(36)23(34)24(35)26(40-28)27(37)38/h14-20,22-26,28,31,34-36H,4-13H2,1-3H3,(H,32,33)(H,37,38)/t14-,15+,16-,17-,18+,19+,20+,22+,23+,24+,25-,26+,28-,29+,30-/m1/s1

HIDE SMILES / InChI

Approval Year

Name

Type

Language

(2S,3S,4S,5R,6R)-6-(((3R,5R,7S,8R,9S,10S,13R,14S,17R)-17-((R)-4-CARBOXYBUTAN-2-YL)-7-HYDROXY-10,13-DIMETHYLHEXADECAHYDRO-1H-CYCLOPENTA(A)PHENANTHREN-3-YL)OXY)-3,4,5-TRIHYDROXYTETRAHYDRO-2H-PYRAN-2-CARBOXYLIC ACID

Preferred Name

English

URSODEOXYCHOLIC ACID 3-O-.BETA.-D-GLUCOPYRANOSIDURONIDE

Common Name

English

.BETA.-D-GLUCOPYRANOSIDURONIC ACID, (3.ALPHA.,5.BETA.,7.BETA.)-23-CARBOXY-7-HYDROXY-24-NORCHOLAN-3-YL

Common Name

English

Code System Code Type Description

FDA UNII

469T65K2CL

Created by admin on Wed Apr 02 10:42:43 GMT 2025 , Edited by admin on Wed Apr 02 10:42:43 GMT 2025

PRIMARY

PUBCHEM

101680022

Created by admin on Wed Apr 02 10:42:43 GMT 2025 , Edited by admin on Wed Apr 02 10:42:43 GMT 2025

PRIMARY

CAS

129121-77-3

Created by admin on Wed Apr 02 10:42:43 GMT 2025 , Edited by admin on Wed Apr 02 10:42:43 GMT 2025

PRIMARY

PARENT (METABOLITE)


					PF1G5J2X2A

URSODEOXYCHOLYLGLYCINE

SUBSTANCE RECORD


					469T65K2CL

URSODEOXYCHOLIC ACID 3-O-.BETA.-D-GLUCOPYRANOSIDURONIDE