CHEBI:135339 - demegestone

Main ChEBI Ontology Automatic Xrefs Reactions Pathways Models
ChEBI Name demegestone
ChEBI ID CHEBI:135339
Stars This entity has been manually annotated by a third party.
Supplier Information
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Formula C21H28O2
Net Charge 0
Average Mass 312.447
Monoisotopic Mass 312.20893
InChI InChI=1S/C21H28O2/c1-13(22)20(2)11-9-19-18-6-4-14-12-15(23)5-7-16(14)17(18)8-10-21(19,20)3/h12,18-19H,4-11H2,1-3H3/t18-,19+,20-,21+/m1/s1
InChIKey JWAHBTQSSMYISL-MHTWAQMVSA-N
SMILES C[C@@]12[C@]([C@]3(C(CC1)=C4C(CC3)=CC(CC4)=O)[H])(CC[C@@]2(C(C)=O)C)[H]
ChEBI Ontology
Outgoing demegestone (CHEBI:135339) is a 20-oxo steroid (CHEBI:36885)
Synonym Source
lutionex DrugCentral
Manual Xref Database
803 DrugCentral
View more database links
Registry Number Type Source
10116-22-0 CAS Registry Number DrugCentral
Last Modified
23 February 2017