(1R)-1-ethynyl-1-hydroxy-8-(hydroxymethyl)-9a,11a-dimethyl-2H,3H,3aH,3bH,4H,5H,8H,9H,9bH,10H,11H-cyclopenta[a]phenanthren-7-one (CHEBI:143357)

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CHEBI:143357 - (1R)-1-ethynyl-1-hydroxy-8-(hydroxymethyl)-9a,11a-dimethyl-2H,3H,3aH,3bH,4H,5H,8H,9H,9bH,10H,11H-cyclopenta[a]phenanthren-7-one

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ChEBI ID	CHEBI:143357
ChEBI Name	(1R)-1-ethynyl-1-hydroxy-8-(hydroxymethyl)-9a,11a-dimethyl-2H,3H,3aH,3bH,4H,5H,8H,9H,9bH,10H,11H-cyclopenta[a]phenanthren-7-one
Stars
Submitter	mwilliams
Downloads	Molfile

Formula	C22H30O3
Net Charge	0
Average Mass	342.479
Monoisotopic Mass	342.21949
SMILES	C#C[C@]1(O)CCC2C3CCC4=CC(=O)C(CO)CC4(C)C3CCC21C
InChI	InChI=1S/C22H30O3/c1-4-22(25)10-8-18-16-6-5-15-11-19(24)14(13-23)12-20(15,2)17(16)7-9-21(18,22)3/h1,11,14,16-18,23,25H,5-10,12-13H2,2-3H3/t14?,16?,17?,18?,20?,21?,22-/m0/s1
InChIKey	JGJFMZZHCOKXHX-ZBLRQYIBSA-N

Roles Classification

Biological Role:

androgen A sex hormone that stimulates or controls the development and maintenance of masculine characteristics in vertebrates by binding to androgen receptors.

ChEBI Ontology

Outgoing Relation(s)
	(1R)-1-ethynyl-1-hydroxy-8-(hydroxymethyl)-9a,11a-dimethyl-2H,3H,3aH,3bH,4H,5H,8H,9H,9bH,10H,11H-cyclopenta[a]phenanthren-7-one (CHEBI:143357) has role androgen (CHEBI:50113)
	(1R)-1-ethynyl-1-hydroxy-8-(hydroxymethyl)-9a,11a-dimethyl-2H,3H,3aH,3bH,4H,5H,8H,9H,9bH,10H,11H-cyclopenta[a]phenanthren-7-one (CHEBI:143357) is a 3-hydroxy steroid (CHEBI:36834)