U.S. Department of Health & Human Services Divider Arrow National Institutes of Health Divider Arrow NCATS

Details

Stereochemistry ABSOLUTE
Molecular Formula C42H62O15
Molecular Weight 806.9327
Optical Activity UNSPECIFIED
Defined Stereocenters 18 / 18
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of LICORICESAPONIN C2

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=CC5=C6C[C@](C)(CC[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=WPDHECQXVOACTR-MOBXHYNLSA-N
InChI=1S/C42H62O15/c1-37(2)21-10-13-42(7)22(9-8-19-20-18-39(4,36(52)53)15-14-38(20,3)16-17-41(19,42)6)40(21,5)12-11-23(37)54-35-31(27(46)26(45)30(56-35)33(50)51)57-34-28(47)24(43)25(44)29(55-34)32(48)49/h8-9,21-31,34-35,43-47H,10-18H2,1-7H3,(H,48,49)(H,50,51)(H,52,53)/t21-,22+,23-,24-,25-,26-,27-,28+,29-,30-,31+,34-,35+,38+,39-,40-,41+,42+/m0/s1

HIDE SMILES / InChI

Approval Year

Name Type Language
LICORICESAPONIN C2
Common Name English
(2S,3S,4S,5R,6R)-6-((2S,3R,4S,5S,6S)-2-(((3S,4AR,6AR,6BS,8AS,11S,14AR,14BS)-11-CARBOXY-4,4,6A,6B,8A,11,14B-HEPTAMETHYL-1,2,3,4A,5,6,7,8,9,10,12,14A-DODECAHYDROPICEN-3-YL)OXY)-6-CARBOXY-4,5-DIHYDROXYOXAN-3-YL)OXY-3,4,5-TRIHYDROXYOXANE-2-CARBOXYLIC ACID
Systematic Name English
LICORICE-SAPONIN C2
Common Name English
SAPONIN C2, FROM LICORICE
Common Name English
.BETA.-D-GLUCOPYRANOSIDURONIC ACID, (3.BETA.,20.BETA.)-20-CARBOXY-30-NOROLEANA-11,13(18)-DIEN-3-YL 2-O-.BETA.-D-GLUCOPYRANURONOSYL-
Systematic Name English
11-DEOXO-11,13-GLYCYRRHIZINDIENE
Common Name English
(3.BETA.,20.BETA.)-20-CARBOXY-30-NOROLEANA-11,13(18)-DIEN-3-YL 2-O-.BETA.-D-GLUCOPYRANURONOSYL-.BETA.-D-GLUCOPYRANOSIDURONIC ACID
Systematic Name English
Code System Code Type Description
FDA UNII
3VCU7FL2GT
Created by admin on Sat Dec 16 09:41:12 GMT 2023 , Edited by admin on Sat Dec 16 09:41:12 GMT 2023
PRIMARY
PUBCHEM
452864
Created by admin on Sat Dec 16 09:41:12 GMT 2023 , Edited by admin on Sat Dec 16 09:41:12 GMT 2023
PRIMARY
EPA CompTox
DTXSID701315863
Created by admin on Sat Dec 16 09:41:12 GMT 2023 , Edited by admin on Sat Dec 16 09:41:12 GMT 2023
PRIMARY
CAS
118525-49-8
Created by admin on Sat Dec 16 09:41:12 GMT 2023 , Edited by admin on Sat Dec 16 09:41:12 GMT 2023
PRIMARY