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 ( + )
Defined Stereocenters 20 / 20
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of URALSAPONIN P

SMILES

CC1(C)[C@H](CC[C@@]2(C)[C@H]1CC[C@]3(C)[C@@H]2C(=O)C=C4[C@@H]5C[C@](C)([C@H](O)C[C@]5(C)CC[C@@]34C)C(O)=O)O[C@@H]6O[C@@H]([C@@H](O)[C@H](O)[C@H]6O[C@@H]7O[C@H](CO)[C@H](O)[C@H](O)[C@H]7O)C(O)=O

InChI

InChIKey=RMNUYAJCFQKSFY-CVZCIHLESA-N
InChI=1S/C42H64O16/c1-37(2)22-8-11-42(7)32(20(44)14-18-19-15-40(5,36(53)54)23(45)16-38(19,3)12-13-41(18,42)6)39(22,4)10-9-24(37)56-35-31(28(49)27(48)30(57-35)33(51)52)58-34-29(50)26(47)25(46)21(17-43)55-34/h14,19,21-32,34-35,43,45-50H,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+,34-,35+,38-,39-,40+,41+,42+/m0/s1

HIDE SMILES / InChI

Approval Year

Name Type Language
3.BETA.,21.ALPHA.-DIHYDROXY-11-OXO-OLEAN-12-EN-30-OIC ACID(21.ALPHA.-HYDROXYGLYCYRRHETINIC ACID)
Preferred Name English
URALSAPONIN P
Common Name English
.BETA.-D-GLUCOPYRANOSIDURONIC ACID, (3.BETA.,20.BETA.,21.ALPHA.)-20-CARBOXY-21-HYDROXY-11-OXO-30-NOROLEAN-12-EN-3-YL 2-O-.BETA.-D-GALACTOPYRANOSYL-
Systematic Name English
Code System Code Type Description
CAS
1616062-81-7
Created by admin on Mon Mar 31 20:56:17 GMT 2025 , Edited by admin on Mon Mar 31 20:56:17 GMT 2025
PRIMARY
FDA UNII
PW27SD8M92
Created by admin on Mon Mar 31 20:56:17 GMT 2025 , Edited by admin on Mon Mar 31 20:56:17 GMT 2025
PRIMARY
PUBCHEM
162623698
Created by admin on Mon Mar 31 20:56:17 GMT 2025 , Edited by admin on Mon Mar 31 20:56:17 GMT 2025
PRIMARY