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

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

Molecular Formula	C42H64O16
Molecular Weight	824.948
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 `Mon Mar 31 22:05:00 GMT 2025` Edited by `admin` on `Mon Mar 31 22:05:00 GMT 2025`
Record UNII	2X3XC4R8BP
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

24-HYDROXY-11-DEOXOGLYCYRRHIZIN

Preferred Name

English

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

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 Mon Mar 31 22:05:00 GMT 2025 , Edited by admin on Mon Mar 31 22:05:00 GMT 2025

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PUBCHEM

14891570

Created by admin on Mon Mar 31 22:05:00 GMT 2025 , Edited by admin on Mon Mar 31 22:05:00 GMT 2025

PRIMARY

FDA UNII

2X3XC4R8BP

Created by admin on Mon Mar 31 22:05:00 GMT 2025 , Edited by admin on Mon Mar 31 22:05:00 GMT 2025

PRIMARY

Related Record Type Details


					42B5YD8F0K

GLYCYRRHIZA URALENSIS ROOT

PARENT -> CONSTITUENT ALWAYS PRESENT

Comments:

The compound did not show significant cytotoxicity against uninfected MDCK cells at 100 uM, but showed inhibitory activity against the H1N1 virus at 100 uM. The compound was also evaluated for anti-HIV activity.

Amount: