17α-Dihydroequilenin

17α-Dihydroequilenin
Clinical data
Other names	NSC-12171; α-Dihydroequilenin; 6,8-Didehydro-17α-estradiol; Estra-1,3,5(10),6,8-pentaen-3,17α-diol
Routes of; administration	By mouth
Drug class	Estrogen
Identifiers
	IUPAC name (13S,14S,17R)-13-methyl-11,12,14,15,16,17-hexahydrocyclopenta[a]phenanthrene-3,17-diol;
CAS Number	6639-99-2;
PubChem CID	223998;
ChemSpider	194598;
ChEBI	CHEBI:34178;
ChEMBL	ChEMBL135236;
CompTox Dashboard (EPA)	DTXSID701047939 ;
ECHA InfoCard	100.026.955
Chemical and physical data
Formula	C18H20O2
Molar mass	268.356 g·mol−1
3D model (JSmol)	Interactive image;
	SMILES C[C@]12CCC3=C([C@@H]1CC[C@H]2O)C=CC4=C3C=CC(=C4)O;
	InChI InChI=1S/C18H20O2/c1-18-9-8-14-13-5-3-12(19)10-11(13)2-4-15(14)16(18)6-7-17(18)20/h2-5,10,16-17,19-20H,6-9H2,1H3/t16-,17+,18-/m0/s1; Key:RYWZPRVUQHMJFF-KSZLIROESA-N;

17α-Dihydroequilenin, or α-dihydroequilenin, also known as 6,8-didehydro-17α-estradiol, as well as estra-1,3,5(10),6,8-pentaen-3,17α-diol, is a naturally occurring steroidal estrogen found in horses which is closely related to equilin, equilenin, and 17α-estradiol, and, as the 3-sulfate ester sodium salt, is a minor constituent (1.2%) of conjugated estrogens (Premarin).^[1]

References

^ Fritz MA, Speroff L (28 March 2012). Clinical Gynecologic Endocrinology and Infertility. Lippincott Williams & Wilkins. pp. 751–. ISBN 978-1-4511-4847-3.

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Clinical data

Other names	NSC-12171; α-Dihydroequilenin; 6,8-Didehydro-17α-estradiol; Estra-1,3,5(10),6,8-pentaen-3,17α-diol
Routes of administration	By mouth
Drug class	Estrogen
Identifiers
IUPAC name (13S,14S,17R)-13-methyl-11,12,14,15,16,17-hexahydrocyclopenta[a]phenanthrene-3,17-diol
CAS Number	6639-99-2
PubChem CID	223998
ChemSpider	194598
ChEBI	CHEBI:34178
ChEMBL	ChEMBL135236
CompTox Dashboard (EPA)	DTXSID701047939
ECHA InfoCard	100.026.955
Chemical and physical data
Formula	C₁₈H₂₀O₂
Molar mass	268.356 g·mol⁻¹
3D model (JSmol)	Interactive image
SMILES C[C@]12CCC3=C([C@@H]1CC[C@H]2O)C=CC4=C3C=CC(=C4)O
InChI InChI=1S/C18H20O2/c1-18-9-8-14-13-5-3-12(19)10-11(13)2-4-15(14)16(18)6-7-17(18)20/h2-5,10,16-17,19-20H,6-9H2,1H3/t16-,17+,18-/m0/s1 Key:RYWZPRVUQHMJFF-KSZLIROESA-N