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

Details

Stereochemistry ABSOLUTE
Molecular Formula C30H48O4
Molecular Weight 472.6997
Optical Activity UNSPECIFIED
Defined Stereocenters 11 / 11
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of (+)-23-HYDROXYURSOLIC ACID

SMILES

C[C@@H]1CC[C@@]2(CC[C@]3(C)C(=CC[C@@H]4[C@@]5(C)CC[C@H](O)[C@@](C)(CO)[C@@H]5CC[C@@]34C)[C@@H]2[C@H]1C)C(O)=O

InChI

InChIKey=NZCULBURCGAPSF-PQWKYGPVSA-N
InChI=1S/C30H48O4/c1-18-9-14-30(25(33)34)16-15-28(5)20(24(30)19(18)2)7-8-22-26(3)12-11-23(32)27(4,17-31)21(26)10-13-29(22,28)6/h7,18-19,21-24,31-32H,8-17H2,1-6H3,(H,33,34)/t18-,19+,21-,22-,23+,24+,26+,27+,28-,29-,30+/m1/s1

HIDE SMILES / InChI

Approval Year

Name Type Language
(3.BETA.,4.ALPHA.)-3,23-DIHYDROXYURS-12-EN-28-OIC ACID
Preferred Name English
(+)-23-HYDROXYURSOLIC ACID
Common Name English
23-HYDROXYURSOLIC ACID
Common Name English
URS-12-EN-28-OIC ACID, 3,23-DIHYDROXY-, (3.BETA.,4.ALPHA.)-
Common Name English
3.BETA.,23-DIHYDROXYURS-12-ENE-28-OIC ACID
Common Name English
2-DEOXYASIATIC ACID
Common Name English
Code System Code Type Description
CAS
94414-19-4
Created by admin on Wed Apr 02 01:09:13 GMT 2025 , Edited by admin on Wed Apr 02 01:09:13 GMT 2025
PRIMARY
FDA UNII
1I1MDP27ZG
Created by admin on Wed Apr 02 01:09:13 GMT 2025 , Edited by admin on Wed Apr 02 01:09:13 GMT 2025
PRIMARY
EPA CompTox
DTXSID101314493
Created by admin on Wed Apr 02 01:09:13 GMT 2025 , Edited by admin on Wed Apr 02 01:09:13 GMT 2025
PRIMARY
CHEBI
67896
Created by admin on Wed Apr 02 01:09:13 GMT 2025 , Edited by admin on Wed Apr 02 01:09:13 GMT 2025
PRIMARY
PUBCHEM
14136881
Created by admin on Wed Apr 02 01:09:13 GMT 2025 , Edited by admin on Wed Apr 02 01:09:13 GMT 2025
PRIMARY