Estrone acetate

Estrone acetate
Identifiers
	IUPAC name [(8R,9S,13S,14S)-13-methyl-17-oxo-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthren-3-yl] acetate;
CAS Number	901-93-9;
PubChem CID	92846;
ChemSpider	83814;
UNII	4L6USG266B;
ChEMBL	ChEMBL1627997;
CompTox Dashboard (EPA)	DTXSID801009160 ;
ECHA InfoCard	100.163.707
Chemical and physical data
Formula	C20H24O3
Molar mass	312.409 g·mol−1
3D model (JSmol)	Interactive image;
	SMILES CC(=O)Oc1ccc2[C@H]3CC[C@@]4(C)[C@@H](CCC4=O)[C@@H]3CCc2c1;
	InChI InChI=1S/C20H24O3/c1-12(21)23-14-4-6-15-13(11-14)3-5-17-16(15)9-10-20(2)18(17)7-8-19(20)22/h4,6,11,16-18H,3,5,7-10H2,1-2H3/t16-,17-,18+,20+/m1/s1; Key:KDPQTPZDVJHMET-XSYGEPLQSA-N;

Estrone acetate (brand name Hovigal) is a semisynthetic, steroidal estrogen.^[1]^[2] It is an estrogen ester, specifically, an ester of estrone.^[1]^[2]

References

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Identifiers

IUPAC name [(8R,9S,13S,14S)-13-methyl-17-oxo-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthren-3-yl] acetate
CAS Number	901-93-9
PubChem CID	92846
ChemSpider	83814
UNII	4L6USG266B
ChEMBL	ChEMBL1627997
CompTox Dashboard (EPA)	DTXSID801009160
ECHA InfoCard	100.163.707
Chemical and physical data
Formula	C₂₀H₂₄O₃
Molar mass	312.409 g·mol⁻¹
3D model (JSmol)	Interactive image
SMILES CC(=O)Oc1ccc2[C@H]3CC[C@@]4(C)[C@@H](CCC4=O)[C@@H]3CCc2c1
InChI InChI=1S/C20H24O3/c1-12(21)23-14-4-6-15-13(11-14)3-5-17-16(15)9-10-20(2)18(17)7-8-19(20)22/h4,6,11,16-18H,3,5,7-10H2,1-2H3/t16-,17-,18+,20+/m1/s1 Key:KDPQTPZDVJHMET-XSYGEPLQSA-N