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Details

Stereochemistry EPIMERIC
Molecular Formula C32H52O10
Molecular Weight 596.7493
Optical Activity UNSPECIFIED
Defined Stereocenters 15 / 16
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of OBETICHOLIC ACID 24-GLUCURONIDE

SMILES

[H][C@@]1(CCC2[C@]3([H])[C@H](O)[C@H](CC)[C@]4([H])C[C@H](O)CC[C@]4(C)[C@@]3([H])CC[C@]12C)[C@H](C)CCC(=O)O[C@@H]5O[C@@H]([C@@H](O)[C@H](O)[C@H]5O)C(O)=O

InChI

InChIKey=OFFXOXBHRHNNRE-QNDXVQPUSA-N
InChI=1S/C32H52O10/c1-5-17-21-14-16(33)10-12-32(21,4)20-11-13-31(3)18(7-8-19(31)23(20)24(17)35)15(2)6-9-22(34)41-30-27(38)25(36)26(37)28(42-30)29(39)40/h15-21,23-28,30,33,35-38H,5-14H2,1-4H3,(H,39,40)/t15-,16-,17-,18-,19?,20+,21+,23+,24-,25+,26+,27-,28+,30-,31-,32-/m1/s1

HIDE SMILES / InChI

Molecular Formula C32H52O10
Molecular Weight 596.7493
Charge 0
Count
Stereochemistry EPIMERIC
Additional Stereochemistry No
Defined Stereocenters 15 / 16
E/Z Centers 0
Optical Activity UNSPECIFIED

Approval Year

Substance Class Chemical
Created
by admin
on Sat Dec 16 14:00:10 GMT 2023
Edited
by admin
on Sat Dec 16 14:00:10 GMT 2023
Record UNII
Y62YER47AU
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
OBETICHOLIC ACID 24-GLUCURONIDE
Common Name English
OCA 24 GLUCURONIDE
Common Name English
OCA 24-GLUCURONIDE
Common Name English
OCA 24-O-GLUCURONIDE
Common Name English
OBETICHOLIC ACID 24-.BETA.-D-GLUCURONIDE
Common Name English
OCA 24-GLUC
Common Name English
Code System Code Type Description
PUBCHEM
165411940
Created by admin on Sat Dec 16 14:00:11 GMT 2023 , Edited by admin on Sat Dec 16 14:00:11 GMT 2023
PRIMARY
FDA UNII
Y62YER47AU
Created by admin on Sat Dec 16 14:00:11 GMT 2023 , Edited by admin on Sat Dec 16 14:00:11 GMT 2023
PRIMARY
Related Record Type Details
PARENT -> METABOLITE