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Details

Stereochemistry ABSOLUTE
Molecular Formula C42H62O15
Molecular Weight 806.9327
Optical Activity UNSPECIFIED
Defined Stereocenters 19 / 19
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of URALSAPONIN W

SMILES

C[C@@]1(CC[C@]2(C)CC[C@]3(C)C(=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@@]34C)[C@@H]2C1)C=O

InChI

InChIKey=BBTZPUQIJXVLFI-HXBRCTIJSA-N
InChI=1S/C42H62O15/c1-37(2)22-8-11-42(7)32(21(44)16-19-20-17-38(3,18-43)12-13-39(20,4)14-15-41(19,42)6)40(22,5)10-9-23(37)54-36-31(27(48)26(47)30(56-36)34(52)53)57-35-28(49)24(45)25(46)29(55-35)33(50)51/h16,18,20,22-32,35-36,45-49H,8-15,17H2,1-7H3,(H,50,51)(H,52,53)/t20-,22-,23-,24-,25-,26-,27-,28+,29-,30-,31+,32+,35-,36+,38-,39+,40-,41+,42+/m0/s1

HIDE SMILES / InChI

Approval Year

Name Type Language
3.BETA.-O-(.BETA.-D-GLUCURONOPYRANOSYL-(1->2)-.BETA.-D-GLUCURONOPYRANOSYL)GLYCYRRHETALDEHYDE
Preferred Name English
URALSAPONIN W
Common Name English
.BETA.-D-GLUCOPYRANOSIDURONIC ACID, (3.BETA.,20.BETA.)-11,29-DIOXOOLEAN-12-EN-3-YL 2-O-.BETA.-D-GLUCOPYRANURONOSYL-
Systematic Name English
Code System Code Type Description
CAS
1616062-88-4
Created by admin on Mon Mar 31 21:52:53 GMT 2025 , Edited by admin on Mon Mar 31 21:52:53 GMT 2025
PRIMARY
FDA UNII
L8QT245VO6
Created by admin on Mon Mar 31 21:52:53 GMT 2025 , Edited by admin on Mon Mar 31 21:52:53 GMT 2025
PRIMARY
PUBCHEM
86278365
Created by admin on Mon Mar 31 21:52:53 GMT 2025 , Edited by admin on Mon Mar 31 21:52:53 GMT 2025
PRIMARY