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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.-

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)(C[C@@H](OC(C)=O)[C@]6(C)CC[C@@]45C)C(O)=O)C2(C)C)C(O)=O)O[C@@H]([C@@H](O)[C@H](O)[C@H]7O)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

Approval Year

Name Type Language
ACETOXYGLYCYRRHIZIN, 22.BETA.-
Common 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-ACETOXYGLYCYRRHIZIN
Common Name English
22.BETA.-ACETOXYGLYCYRRHIZIN
Common Name English
Code System Code Type Description
CAS
938042-17-2
Created by admin on Sat Dec 16 01:01:25 GMT 2023 , Edited by admin on Sat Dec 16 01:01:25 GMT 2023
PRIMARY
FDA UNII
VFH398C4TK
Created by admin on Sat Dec 16 01:01:25 GMT 2023 , Edited by admin on Sat Dec 16 01:01:25 GMT 2023
PRIMARY
PUBCHEM
102051862
Created by admin on Sat Dec 16 01:01:25 GMT 2023 , Edited by admin on Sat Dec 16 01:01:25 GMT 2023
PRIMARY