epostane (CHEBI:751879)

CHEBI:751879 - epostane

Formula	C22H31NO3
Net Charge	0
Average Mass	357.494
Monoisotopic Mass	357.23039
SMILES	[H][C@@]12CC[C@@]34O[C@]3(C)C(O)=C(C#N)C[C@]4(C)[C@@]1([H])CC[C@@]1(C)[C@@]2([H])CC[C@]1(C)O
InChI	InChI=1S/C22H31NO3/c1-18-8-6-16-14(15(18)7-9-20(18,3)25)5-10-22-19(16,2)11-13(12-23)17(24)21(22,4)26-22/h14-16,24-25H,5-11H2,1-4H3/t14-,15-,16-,18-,19+,20-,21+,22-/m0/s1
InChIKey	CETKWEWBSMKADK-GSXVSZIWSA-N

ChEBI Ontology

Outgoing Relation(s)
	epostane (CHEBI:751879) has parent hydride estrane (CHEBI:23966)
	epostane (CHEBI:751879) is a steroid (CHEBI:35341)

INN	Source
epostano	WHO MedNet