Equilenin

Esters []
Equilenin acetate

Molecular structure via molpic based on CDK

Conformer []
Conformer structure via 3Dmol.js
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Physical properties []
Molecular mass	266.3 g/mol [1]
Predicted LogP	3.5 [1]

Structural Identifiers []
Molecular formula	C18H18O2 [1]
IUPAC name	(13S,14S)-3-hydroxy-13-methyl-12,14,15,16-tetrahydro-11H-cyclopenta[a]phenanthren-17-one [1]
SMILES	C[C@]12CCC3=C([C@@H]1CCC2=O)C=CC4=C3C=CC(=C4)O [1]
InChI	InChI=1S/C18H18O2/c1-18-9-8-14-13-5-3-12(19)10-11(13)2-4-15(14)16(18)6-7-17(18)20/h2-5,10,16,19H,6-9H2,1H3/t16-,18-/m0/s1 [1]
InChIKey	PDRGHUMCVRDZLQ-WMZOPIPTSA-N [1]

Equilenin

Equilenin (also known as Equilenine, d-Equilenin, (+)-Equilenin, 3-Hydroxyestra-1,3,5(10),6,8-pentaen-17-one, 3-Hydroxyestra-1,3,5,7,9-pentaen-17-one, Equilenina, CCRIS 9075, 6,8-didehydroestrone, 4-08-00-01420 or 3-Hydroxyoestra-1,3,5(10),6,8-pentaen-17-one) is a substance of the steroid class.

Chemistry