20-Carboxy-23-hydroxy-11-oxo-30-norolean-12-en-3-yl 2-O-β-D-glucopyranuronosyl-α-D-glucopyranosiduronic acid, (3β,4β,20β)-

Details

Stereochemistry	ABSOLUTE
Molecular Formula	C42H62O17
Molecular Weight	838.9315
Optical Activity	UNSPECIFIED
Defined Stereocenters	20 / 20
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure of 20-Carboxy-23-hydroxy-11-oxo-30-norolean-12-en-3-yl 2-O-β-D-glucopyranuronosyl-α-D-glucopyranosiduronic acid, (3β,4β,20β)-

Structure Search

SMILES

[H][C@]7(O[C@@H]1[C@@H](O)[C@H](O)[C@H](O[C@]1([H])O[C@H]2CC[C@@]3(C)[C@@]([H])(CC[C@]4(C)[C@]3([H])C(=O)C=C5[C@]6([H])C[C@](C)(CC[C@]6(C)CC[C@]45C)C(O)=O)[C@@]2(C)CO)C(O)=O)O[C@@H]([C@@H](O)[C@H](O)[C@H]7O)C(O)=O

InChI

InChIKey=WBQVRPYEEYUEBQ-TYGSXCDJSA-N

InChI=1S/C42H62O17/c1-37-11-12-38(2,36(54)55)16-19(37)18-15-20(44)31-39(3)9-8-22(40(4,17-43)21(39)7-10-42(31,6)41(18,5)14-13-37)56-35-30(26(48)25(47)29(58-35)33(52)53)59-34-27(49)23(45)24(46)28(57-34)32(50)51/h15,19,21-31,34-35,43,45-49H,7-14,16-17H2,1-6H3,(H,50,51)(H,52,53)(H,54,55)/t19-,21+,22-,23-,24-,25-,26-,27+,28-,29-,30+,31+,34+,35-,37+,38-,39-,40+,41-,42+/m0/s1

HIDE SMILES / InChI

Molecular Formula	C42H62O17
Molecular Weight	838.9315
Charge	0
Count

Stereochemistry	ABSOLUTE
Additional Stereochemistry	No
Defined Stereocenters	20 / 20
E/Z Centers	0
Optical Activity	UNSPECIFIED

Approval Year

Substance Class	Chemical Created by `admin` on `Sat Dec 16 19:31:14 GMT 2023` Edited by `admin` on `Sat Dec 16 19:31:14 GMT 2023`
Record UNII	ERB4JS2WQJ
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

20-Carboxy-23-hydroxy-11-oxo-30-norolean-12-en-3-yl 2-O-β-D-glucopyranuronosyl-α-D-glucopyranosiduronic acid, (3β,4β,20β)-

Systematic Name

English

Ammonium Glycyrrhizate Impurity A [EP Impurity]

Common Name

English

(3β,4β,20β)-20-Carboxy-23-hydroxy-11-oxo-30-norolean-12-en-3-yl 2-O-β-D-glucopyranuronosyl-α-D-glucopyranosiduronic acid

Common Name

English

α-D-Glucopyranosiduronic acid, (3β,4β,20β)-20-carboxy-23-hydroxy-11-oxo-30-norolean-12-en-3-yl 2-O-β-D-glucopyranuronosyl-

Common Name

English

(2S,3S,4S,5R,6R)-6-[(2S,3R,4S,5S,6S)-2-[[(3S,4S,4aR,6aR,6bS,8aS,11S,12aR,14aR,14bS)-11-carboxy-4-(hydroxymethyl)-4,6a,6b,8a,11,14b-hexamethyl-14-oxo-2,3,4a,5,6,7,8,9,10,12,12a,14a-dodecahydro-1H-picen-3-yl]oxy]-6-carboxy-4,5-dihydroxyoxan-3-yl]oxy-3,4,5-

Systematic Name

English

Code System Code Type Description

FDA UNII

ERB4JS2WQJ

Created by admin on Sat Dec 16 19:31:14 GMT 2023 , Edited by admin on Sat Dec 16 19:31:14 GMT 2023

PRIMARY

CAS

215720-45-9

Created by admin on Sat Dec 16 19:31:14 GMT 2023 , Edited by admin on Sat Dec 16 19:31:14 GMT 2023

PRIMARY

PUBCHEM

86577114

Created by admin on Sat Dec 16 19:31:14 GMT 2023 , Edited by admin on Sat Dec 16 19:31:14 GMT 2023

PRIMARY

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