CHEBI:135661 - quingestanol acetate

Main ChEBI Ontology Automatic Xrefs Reactions Pathways Models
ChEBI Name quingestanol acetate
ChEBI ID CHEBI:135661
Stars This entity has been manually annotated by a third party.
Supplier Information
Download Molfile XML SDF
Formula C27H36O3
Net Charge 0
Average Mass 408.574
Monoisotopic Mass 408.26645
InChI InChI=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
InChIKey FLGJKPPXEKYCBY-AKCFYGDASA-N
SMILES O(C(C)=O)[C@]1(C#C)[C@]2(C)[C@@](CC1)([C@]3([C@](CC2)([C@@]4(C(=CC3)C=C(CC4)OC5CCCC5)[H])[H])[H])[H]
ChEBI Ontology
Outgoing quingestanol acetate (CHEBI:135661) is a steroid ester (CHEBI:47880)
Synonym Source
quingestanol DrugCentral
Manual Xref Database
2345 DrugCentral
View more database links
Registry Number Type Source
3000-39-3 CAS Registry Number DrugCentral
Last Modified
23 February 2017