ACETOXYGLYCYRRHIZIN, 22.BETA.-

Details

Stereochemistry	ABSOLUTE
Molecular Formula	C44H64O18
Molecular Weight	880.9682
Optical Activity	( + )
Defined Stereocenters	20 / 20
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure of ACETOXYGLYCYRRHIZIN, 22.BETA.-

Structure Search

SMILES

CC(=O)O[C@@H]1C[C@@](C)(C[C@H]2C3=CC(=O)[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)(C)[C@@H]5CC[C@@]4(C)[C@]3(C)CC[C@@]12C)C(O)=O

InChI

InChIKey=OBFDSOYVKVRFGY-AZFCQWTHSA-N

InChI=1S/C44H64O18/c1-18(45)58-24-17-40(4,38(56)57)16-20-19-15-21(46)33-42(6)11-10-23(39(2,3)22(42)9-12-44(33,8)43(19,7)14-13-41(20,24)5)59-37-32(28(50)27(49)31(61-37)35(54)55)62-36-29(51)25(47)26(48)30(60-36)34(52)53/h15,20,22-33,36-37,47-51H,9-14,16-17H2,1-8H3,(H,52,53)(H,54,55)(H,56,57)/t20-,22-,23-,24+,25-,26-,27-,28-,29+,30-,31-,32+,33+,36-,37+,40+,41+,42-,43+,44+/m0/s1

HIDE SMILES / InChI

Molecular Formula	C44H64O18
Molecular Weight	880.9682
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 20:42:34 GMT 2025` Edited by `admin` on `Mon Mar 31 20:42:34 GMT 2025`
Record UNII	VFH398C4TK
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

ACETOXYGLYCYRRHIZIN, 22.BETA.-

Common Name

English

22-ACETOXYGLYCYRRHIZIN

Preferred Name

English

.BETA.-D-GLUCOPYRANOSIDURONIC ACID, (3.BETA.,22.BETA.,20.BETA.)-22-(ACETYLOXY)-20-CARBOXY-11-OXO-30-NOROLEAN-12-EN-3-YL 2-O-.BETA.-D-GLUCOPYRANURONOSYL-

Systematic Name

English

(2S,3S,4S,5R,6R)-6-(((3S,4AR,6AR,6BS,8AR,9R,11R,12AS,14AR,14BS)-9-(ACETYLOXY)-11-CARBOXY-4,4,6A,6B,8A,11,14B-HEPTAMETHYL-14-OXO-1,2,3,4,4A,5,6,6A,6B,7,8,8A,9,10,11,12,12A,14,14A,14B-ICOSAHYDROPICEN-3-YL)OXY)-5-(((2R,3R,4S,5S,6S)-6-CARBOXY-3,4,5-TRIHYDROX

Systematic Name

English

22.BETA.-ACETOXYGLYCYRRHIZIN

Common Name

English

Code System Code Type Description

CAS

938042-17-2

Created by admin on Mon Mar 31 20:42:34 GMT 2025 , Edited by admin on Mon Mar 31 20:42:34 GMT 2025

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FDA UNII

VFH398C4TK

Created by admin on Mon Mar 31 20:42:34 GMT 2025 , Edited by admin on Mon Mar 31 20:42:34 GMT 2025

PRIMARY

PUBCHEM

102051862

Created by admin on Mon Mar 31 20:42:34 GMT 2025 , Edited by admin on Mon Mar 31 20:42:34 GMT 2025

PRIMARY

Related Record Type Details


					42B5YD8F0K

GLYCYRRHIZA URALENSIS ROOT

PARENT -> CONSTITUENT ALWAYS PRESENT

Comments:

Anti-H1N1 (IC50 in uM) activity of compound was shown to be 49.1 uM. Anti-HIV (IC50 in uM) activity of compound was shown to be 29.5 uM. 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: