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

Details

Stereochemistry ABSOLUTE
Molecular Formula C30H48O5
Molecular Weight 488.6991
Optical Activity UNSPECIFIED
Defined Stereocenters 11 / 11
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of TORMENTIC ACID

SMILES

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

InChI

InChIKey=OXVUXGFZHDKYLS-BLIWDXROSA-N
InChI=1S/C30H48O5/c1-17-10-13-30(24(33)34)15-14-27(5)18(22(30)29(17,7)35)8-9-21-26(4)16-19(31)23(32)25(2,3)20(26)11-12-28(21,27)6/h8,17,19-23,31-32,35H,9-16H2,1-7H3,(H,33,34)/t17-,19-,20+,21-,22-,23+,26+,27-,28-,29-,30+/m1/s1

HIDE SMILES / InChI

Approval Year

Name Type Language
TORMENTIC ACID
Common Name English
TORMENTOLIC ACID
Preferred Name English
2.ALPHA.,3.BETA.,19-TRIHYDROXYURS-12-EN-28-OIC ACID
Systematic Name English
URS-12-EN-28-OIC ACID, 2,3,19-TRIHYDROXY-, (2.ALPHA.,3.BETA.)-
Systematic Name English
URS-12-EN-28-OIC ACID, 2.ALPHA.,3.BETA.,19-TRIHYDROXY-
Systematic Name English
(2.ALPHA.,3.BETA.)-2,3,19-TRIHYDROXYURS-12-EN-28-OIC ACID
Systematic Name English
2.ALPHA.,19.ALPHA.-DIHYDROXYURSOLIC ACID
Systematic Name English
2.ALPHA.,3.BETA.,19.ALPHA.-TRIHYDROXYURS-12-EN-28-OIC ACID
Systematic Name English
Code System Code Type Description
WIKIPEDIA
Tormentic acid
Created by admin on Wed Apr 02 12:47:30 GMT 2025 , Edited by admin on Wed Apr 02 12:47:30 GMT 2025
PRIMARY
CHEBI
67914
Created by admin on Wed Apr 02 12:47:30 GMT 2025 , Edited by admin on Wed Apr 02 12:47:30 GMT 2025
PRIMARY
PUBCHEM
73193
Created by admin on Wed Apr 02 12:47:30 GMT 2025 , Edited by admin on Wed Apr 02 12:47:30 GMT 2025
PRIMARY
EPA CompTox
DTXSID40930135
Created by admin on Wed Apr 02 12:47:30 GMT 2025 , Edited by admin on Wed Apr 02 12:47:30 GMT 2025
PRIMARY
CAS
13850-16-3
Created by admin on Wed Apr 02 12:47:30 GMT 2025 , Edited by admin on Wed Apr 02 12:47:30 GMT 2025
PRIMARY
FDA UNII
9WL8LH7U78
Created by admin on Wed Apr 02 12:47:30 GMT 2025 , Edited by admin on Wed Apr 02 12:47:30 GMT 2025
PRIMARY