CHEBI:81306 - Acetoxolone

Main ChEBI Ontology Automatic Xrefs Reactions Pathways Models
ChEBI Name Acetoxolone
ChEBI ID CHEBI:81306
Stars This entity has been manually annotated by a third party.
Supplier Information
Download Molfile XML SDF
Formula C32H48O5
Net Charge 0
Average Mass 512.72050
Monoisotopic Mass 512.350
InChI InChI=1S/C32H48O5/c1-19(33)37-24-10-11-30(6)23(27(24,2)3)9-12-32(8)25(30)22(34)17-20-21-18-29(5,26(35)36)14-13-28(21,4)15-16-31(20,32)7/h17,21,23-25H,9-16,18H2,1-8H3,(H,35,36)/t21-,23-,24-,25+,28+,29-,30-,31+,32+/m0/s1
InChIKey FTQDJVZNPJRVPG-XWEVEMRCSA-N
SMILES CC(=O)O[C@H]1CC[C@@]2(C)[C@@H](CC[C@]3(C)[C@@H]2C(=O)C=C2[C@@H]4C[C@](C)(CC[C@]4(C)CC[C@@]32C)C(O)=O)C1(C)C
ChEBI Ontology
Outgoing Acetoxolone (CHEBI:81306) is a triterpenoid (CHEBI:36615)
Synonyms Sources
acetylglycyrrhetic acid DrugCentral
Acetylglycyrrhetinic acid KEGG COMPOUND
glycyrrhetic acid acetate DrugCentral
glycyrrhetinic acid acetate DrugCentral
glycyrrhetinyl acetate DrugCentral
Manual Xrefs Databases
62 DrugCentral
C17734 KEGG COMPOUND
View more database links
Registry Number Type Source
6277-14-1 CAS Registry Number KEGG COMPOUND
Last Modified
22 February 2017