Equilenin

Equilenin
Clinical data
Other names	6,8-Didehydroestrone; Estra-1,3,5(10),6,8-pentaen-3-ol-17-one
Routes of; administration	By mouth
Drug class	Estrogen
Identifiers
	IUPAC name (13S,14S)-3-hydroxy-13-methyl-12,14,15,16-tetrahydro-11H-cyclopenta[a]phenanthren-17-one;
CAS Number	517-09-9 ;
PubChem CID	444865;
DrugBank	DB03515 ;
ChemSpider	392668 ;
UNII	W8FTJ17C4J;
KEGG	C14303 ;
ChEBI	CHEBI:34739;
ChEMBL	ChEMBL225546 ;
CompTox Dashboard (EPA)	DTXSID2052156 ;
ECHA InfoCard	100.007.483
Chemical and physical data
Formula	C18H18O2
Molar mass	266.340 g·mol−1
3D model (JSmol)	Interactive image;
	SMILES O=C4[C@]3(CCc1c(ccc2c1ccc(O)c2)[C@@H]3CC4)C;
	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 ; Key:PDRGHUMCVRDZLQ-WMZOPIPTSA-N ;
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Equilenin, also known as 6,8-didehydroestrone, as well as estra-1,3,5(10),6,8-pentaen-3-ol-17-one, is a naturally occurring steroidal estrogen obtained from the urine of pregnant mares. It is used as one of the components in conjugated estrogens (brand name Premarin). It was the first complex natural product to be fully synthesized, in work reported by 1940 by Bachmann and Wilds.

Clinical data

Other names	6,8-Didehydroestrone; Estra-1,3,5(10),6,8-pentaen-3-ol-17-one
Routes of administration	By mouth
Drug class	Estrogen
Identifiers
IUPAC name (13S,14S)-3-hydroxy-13-methyl-12,14,15,16-tetrahydro-11H-cyclopenta[a]phenanthren-17-one
CAS Number	517-09-9^Y
PubChem CID	444865
DrugBank	DB03515^Y
ChemSpider	392668^Y
UNII	W8FTJ17C4J
KEGG	C14303^Y
ChEBI	CHEBI:34739
ChEMBL	ChEMBL225546^Y
CompTox Dashboard (EPA)	DTXSID2052156
ECHA InfoCard	100.007.483
Chemical and physical data
Formula	C₁₈H₁₈O₂
Molar mass	266.340 g·mol⁻¹
3D model (JSmol)	Interactive image
SMILES O=C4[C@]3(CCc1c(ccc2c1ccc(O)c2)[C@@H]3CC4)C
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^Y Key:PDRGHUMCVRDZLQ-WMZOPIPTSA-N^Y
^NY (what is this?) (verify)