3-O-(.BETA.-D-GLUCURONOPYRANOSYL-(1->2)-.BETA.-D-GALACTOPYRANOSYL)GLYCYRRHETIC ACID

Details

Stereochemistry	ABSOLUTE
Molecular Formula	C42H64O15
Molecular Weight	808.9486
Optical Activity	UNSPECIFIED
Defined Stereocenters	19 / 19
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure of 3-O-(.BETA.-D-GLUCURONOPYRANOSYL-(1->2)-.BETA.-D-GALACTOPYRANOSYL)GLYCYRRHETIC ACID

Structure Search

SMILES

C[C@]12CC[C@@](C)(C[C@H]1C3=CC(=O)[C@@H]4[C@@]5(C)CC[C@H](O[C@@H]6O[C@H](CO)[C@@H](O)[C@H](O)[C@H]6O[C@@H]7O[C@@H]([C@@H](O)[C@H](O)[C@H]7O)C(O)=O)C(C)(C)[C@@H]5CC[C@@]4(C)[C@]3(C)CC2)C(O)=O

InChI

InChIKey=IXEZXGJHEPIUPS-FNDKVILYSA-N

InChI=1S/C42H64O15/c1-37(2)23-8-11-42(7)32(21(44)16-19-20-17-39(4,36(52)53)13-12-38(20,3)14-15-41(19,42)6)40(23,5)10-9-24(37)55-35-31(27(47)25(45)22(18-43)54-35)57-34-29(49)26(46)28(48)30(56-34)33(50)51/h16,20,22-32,34-35,43,45-49H,8-15,17-18H2,1-7H3,(H,50,51)(H,52,53)/t20-,22+,23-,24-,25+,26-,27-,28-,29+,30-,31+,32+,34-,35-,38+,39-,40-,41+,42+/m0/s1

HIDE SMILES / InChI

Molecular Formula	C42H64O15
Molecular Weight	808.9486
Charge	0
Count

Stereochemistry	ABSOLUTE
Additional Stereochemistry	No
Defined Stereocenters	19 / 19
E/Z Centers	0
Optical Activity	UNSPECIFIED

Approval Year

Substance Class	Chemical Created by `admin` on `Mon Mar 31 22:58:20 GMT 2025` Edited by `admin` on `Mon Mar 31 22:58:20 GMT 2025`
Record UNII	HH9RL35865
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

3-O-(.BETA.-D-GLUCURONOPYRANOSYL-(1 -> 2)-.BETA.-DGALACTOPYRANOSYL) GLYCYRRHETIC ACID

Preferred Name

English

3-O-(.BETA.-D-GLUCURONOPYRANOSYL-(1->2)-.BETA.-D-GALACTOPYRANOSYL)GLYCYRRHETIC ACID

Common Name

English

OLEAN-12-EN-29-OIC ACID, 3-((2-O-.BETA.-D-GLUCOPYRANURONOSYL-.BETA.-D-GALACTOPYRANOSYL)OXY)-11-OXO-, (3.BETA.,20.BETA.)-

Systematic Name

English

Code System Code Type Description

FDA UNII

HH9RL35865

Created by admin on Mon Mar 31 22:58:20 GMT 2025 , Edited by admin on Mon Mar 31 22:58:20 GMT 2025

PRIMARY

CAS

138268-00-5

Created by admin on Mon Mar 31 22:58:20 GMT 2025 , Edited by admin on Mon Mar 31 22:58:20 GMT 2025

PRIMARY

PUBCHEM

91617645

Created by admin on Mon Mar 31 22:58:20 GMT 2025 , Edited by admin on Mon Mar 31 22:58:20 GMT 2025

PRIMARY

CAS

138267-96-6

Created by admin on Mon Mar 31 22:58:20 GMT 2025 , Edited by admin on Mon Mar 31 22:58:20 GMT 2025

NON-SPECIFIC STEREOCHEMISTRY

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