17α-Dihydroequilin

17α-Dihydroequilin
Clinical data
Other names	α-Dihydroequilin; 7-Dehydro-17α-estradiol; Estra-1,3,5(10),7-tetraen-3,17α-diol
Routes of; administration	By mouth
Drug class	Estrogen
ATC code	G03CA57 (WHO) ;
Identifiers
	IUPAC name (9S,13S,14S,17R)-13-methyl-6,9,11,12,14,15,16,17-octahydrocyclopenta[a]phenanthrene-3,17-diol;
CAS Number	651-55-8;
PubChem CID	9547222;
ChemSpider	7826162;
UNII	48P73794OJ;
CompTox Dashboard (EPA)	DTXSID70873788 ;
ECHA InfoCard	100.010.440
Chemical and physical data
Formula	C18H22O2
Molar mass	270.372 g·mol−1
3D model (JSmol)	Interactive image;
	SMILES CC12CCC3C(=CCC4=C3C=CC(=C4)O)C1CCC2O;
	InChI InChI=1S/C18H22O2/c1-18-9-8-14-13-5-3-12(19)10-11(13)2-4-15(14)16(18)6-7-17(18)20/h3-5,10,14,16-17,19-20H,2,6-9H2,1H3/t14-,16+,17-,18+/m1/s1; Key:NLLMJANWPUQQTA-SPUZQDLCSA-N;

17α-Dihydroequilin, or α-dihydroequilin, also known as 7-dehydro-17α-estradiol, as well as estra-1,3,5(10),7-tetraene-3,17α-diol, is a naturally occurring steroidal estrogen found in horses which is closely related to equilin, equilenin, and 17α-estradiol.^[1]^[2] The compound, as the 3-sulfate ester sodium salt, is present in conjugated estrogens (Premarin), a pharmaceutical extract of the urine of pregnant mares, and is the third highest quantity constituent in the formulation (13.8%).^[1] The compound has been studied clinically.^[3]

References

^ ^a ^b Fritz MA, Speroff L (28 March 2012). Clinical Gynecologic Endocrinology and Infertility. Lippincott Williams & Wilkins. pp. 751–. ISBN 978-1-4511-4847-3.
^ IARC Working Group on the Evaluation of Carcinogenic Risks to Humans; World Health Organization; International Agency for Research on Cancer (2007). Combined Estrogen-progestogen Contraceptives and Combined Estrogen-progestogen Menopausal Therapy. World Health Organization. pp. 378–. ISBN 978-92-832-1291-1.
^ Wilcox JG, Stanczyk FZ, Morris RS, Gentzschein E, Lobo RA (November 1996). "Biologic effects of 17 alpha-dihydroequilin sulfate". Fertility and Sterility. 66 (5): 748–52. doi:10.1016/S0015-0282(16)58629-4. PMID 8893678.

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Clinical data

Other names	α-Dihydroequilin; 7-Dehydro-17α-estradiol; Estra-1,3,5(10),7-tetraen-3,17α-diol
Routes of administration	By mouth
Drug class	Estrogen
ATC code	G03CA57 (WHO)
Identifiers
IUPAC name (9S,13S,14S,17R)-13-methyl-6,9,11,12,14,15,16,17-octahydrocyclopenta[a]phenanthrene-3,17-diol
CAS Number	651-55-8
PubChem CID	9547222
ChemSpider	7826162
UNII	48P73794OJ
CompTox Dashboard (EPA)	DTXSID70873788
ECHA InfoCard	100.010.440
Chemical and physical data
Formula	C₁₈H₂₂O₂
Molar mass	270.372 g·mol⁻¹
3D model (JSmol)	Interactive image
SMILES CC12CCC3C(=CCC4=C3C=CC(=C4)O)C1CCC2O
InChI InChI=1S/C18H22O2/c1-18-9-8-14-13-5-3-12(19)10-11(13)2-4-15(14)16(18)6-7-17(18)20/h3-5,10,14,16-17,19-20H,2,6-9H2,1H3/t14-,16+,17-,18+/m1/s1 Key:NLLMJANWPUQQTA-SPUZQDLCSA-N