EMBL-EBI | Chemical Biology | ChEBI

Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search

CHEBI:135661 - quingestanol acetate

ChEBI IDCHEBI:135661
ChEBI Namequingestanol acetate
Stars
Last Modified23 February 2017
DownloadsMolfile
FormulaC27H36O3
Net Charge0
Average Mass408.582
Monoisotopic Mass408.26645
SMILES[H][C@@]12CC=C3C=C(OC4CCCC4)CC[C@]3([H])[C@@]1([H])CC[C@@]1(C)[C@@]2([H])CC[C@]1(C#C)OC(C)=O
InChIInChI=1S/C27H36O3/c1-4-27(30-18(2)28)16-14-25-24-11-9-19-17-21(29-20-7-5-6-8-20)10-12-22(19)23(24)13-15-26(25,27)3/h1,9,17,20,22-25H,5-8,10-16H2,2-3H3/t22-,23+,24+,25-,26-,27-/m0/s1
InChIKeyFLGJKPPXEKYCBY-AKCFYGDASA-N
ChEBI Ontology
Outgoing Relation(s)
quingestanol acetate (CHEBI:135661) is a steroid ester (CHEBI:47880)
Synonym  Source
quingestanolDrugCentral
Manual XrefsDatabases
2345DrugCentral
Registry NumbersSources
CAS:3000-39-3DrugCentral