LICORICESAPONIN J2

Details

Stereochemistry	ABSOLUTE
Molecular Formula	C42H64O16
Molecular Weight	824.948
Optical Activity	UNSPECIFIED
Defined Stereocenters	20 / 20
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

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])CC=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=SLWCVFLNZDOMEZ-WFCUWKETSA-N

InChI=1S/C42H64O16/c1-37-13-14-38(2,36(53)54)17-20(37)19-7-8-22-39(3)11-10-23(40(4,18-43)21(39)9-12-42(22,6)41(19,5)16-15-37)55-35-31(27(47)26(46)30(57-35)33(51)52)58-34-28(48)24(44)25(45)29(56-34)32(49)50/h7,20-31,34-35,43-48H,8-18H2,1-6H3,(H,49,50)(H,51,52)(H,53,54)/t20-,21+,22+,23-,24-,25-,26-,27-,28+,29-,30-,31+,34-,35+,37+,38-,39-,40+,41+,42+/m0/s1

HIDE SMILES / InChI

Approval Year

Name

Type

Language

LICORICESAPONIN J2

Common Name

English

SAPONIN J2, FROM LICORICE

Common Name

English

(2S,3S,4S,5R,6R)-6-((2R,3R,4S,5S,6S)-2-(((3S,4S,4AR,6AR,6BS,8AS,11S,12AR,14AR,14BR)-11-CARBOXY-4-(HYDROXYMETHYL)-4,6A,6B,8A,11,14B-HEXAMETHYL-1,2,3,4A,5,6,7,8,9,10,12,12A,14,14A-TETRADECAHYDROPICEN-3-YL)OXY)-6-CARBOXY-4,5-DIHYDROXYOXAN-3-YL)OXY-3,4,5-TRI

Systematic Name

English

24-HYDROXY-11-DEOXOGLYCYRRHIZIN

Common Name

English

LICORICE-SAPONIN J2

Common Name

English

.BETA.-D-GLUCOPYRANOSIDURONIC ACID, (3.BETA.,4.BETA.,20.BETA.)-20-CARBOXY-23-HYDROXY-30-NOROLEAN-12-EN-3-YL 2-O-.BETA.-D-GLUCOPYRANURONOSYL-

Systematic Name

English

Code System Code Type Description

CAS

938042-18-3

Created by admin on Sat Dec 16 08:26:23 GMT 2023 , Edited by admin on Sat Dec 16 08:26:23 GMT 2023

PRIMARY

PUBCHEM

14891570

Created by admin on Sat Dec 16 08:26:23 GMT 2023 , Edited by admin on Sat Dec 16 08:26:23 GMT 2023

PRIMARY

FDA UNII

2X3XC4R8BP

Created by admin on Sat Dec 16 08:26:23 GMT 2023 , Edited by admin on Sat Dec 16 08:26:23 GMT 2023

PRIMARY

SUBSTANCE RECORD


					2X3XC4R8BP

LICORICESAPONIN J2