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

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 of URALSAPONIN C

SMILES

C[C@]1(CO)C[C@@H](O)[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

InChI

InChIKey=ZFSRTFFNWLQWAO-UEFFDLHQSA-N
InChI=1S/C42H64O16/c1-37(2)21-8-11-42(7)32(20(44)14-18-19-15-38(3,17-43)16-22(45)39(19,4)12-13-41(18,42)6)40(21,5)10-9-23(37)55-36-31(27(49)26(48)30(57-36)34(53)54)58-35-28(50)24(46)25(47)29(56-35)33(51)52/h14,19,21-32,35-36,43,45-50H,8-13,15-17H2,1-7H3,(H,51,52)(H,53,54)/t19-,21-,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
.BETA.-D-GLUCOPYRANOSIDURONIC ACID, (3.BETA.,20.BETA.,22.BETA.)-22,29-DIHYDROXY-11-OXOOLEAN-12-EN-3-YL 2-O-.BETA.-D-GLUCOPYRANURONOSYL-
Preferred Name English
URALSAPONIN C
Common Name English
Code System Code Type Description
FDA UNII
1CW86HCS2A
Created by admin on Mon Mar 31 21:59:55 GMT 2025 , Edited by admin on Mon Mar 31 21:59:55 GMT 2025
PRIMARY
CAS
1262326-46-4
Created by admin on Mon Mar 31 21:59:55 GMT 2025 , Edited by admin on Mon Mar 31 21:59:55 GMT 2025
PRIMARY
PUBCHEM
86278344
Created by admin on Mon Mar 31 21:59:55 GMT 2025 , Edited by admin on Mon Mar 31 21:59:55 GMT 2025
PRIMARY