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CHEBI:81306 - Acetoxolone

Default Structure
ChEBI IDCHEBI:81306
ChEBI NameAcetoxolone
Stars
Last Modified22 February 2017
DownloadsMolfile
FormulaC32H48O5
Net Charge0
Average Mass512.731
Monoisotopic Mass512.35017
SMILES[H][C@]12C(=O)C=C3[C@]4([H])C[C@@](C)(C(=O)O)CC[C@]4(C)CC[C@@]3(C)[C@]1(C)CC[C@@]1([H])C(C)(C)[C@@H](OC(C)=O)CC[C@]21C
InChIInChI=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
InChIKeyFTQDJVZNPJRVPG-XWEVEMRCSA-N
ChEBI Ontology
Outgoing Relation(s)
Acetoxolone (CHEBI:81306) is a triterpenoid (CHEBI:36615)
Synonyms  Source
acetylglycyrrhetic acidDrugCentral
Acetylglycyrrhetinic acidKEGG COMPOUND
glycyrrhetic acid acetateDrugCentral
glycyrrhetinic acid acetateDrugCentral
glycyrrhetinyl acetateDrugCentral
Manual XrefsDatabases
62DrugCentral
C17734KEGG COMPOUND
Registry NumbersSources
CAS:6277-14-1KEGG COMPOUND