Estrofurate

Estrofurate
Identifiers
	IUPAC name [(9S,13S,14S,17S)-17-(furan-3-yl)-17-hydroxy-13-methyl-9,11,12,14,15,16-hexahydro-6H-cyclopenta[a]phenanthren-3-yl] acetate;
CAS Number	10322-73-3;
PubChem CID	66360;
ChemSpider	59738;
UNII	0CDE7T54KW;
KEGG	D04069;
ChEMBL	ChEMBL2104224;
CompTox Dashboard (EPA)	DTXSID60883114 ;
Chemical and physical data
Formula	C24H26O4
Molar mass	378.468 g·mol−1
3D model (JSmol)	Interactive image;
	SMILES CC(=O)OC1=CC2=C(C=C1)C3CCC4(C(C3=CC2)CCC4(C5=COC=C5)O)C;
	InChI InChI=1S/C24H26O4/c1-15(25)28-18-4-6-19-16(13-18)3-5-21-20(19)7-10-23(2)22(21)8-11-24(23,26)17-9-12-27-14-17/h4-6,9,12-14,20,22,26H,3,7-8,10-11H2,1-2H3/t20-,22+,23+,24-/m1/s1; Key:AEVUURWLDCELOV-AYVPJYCDSA-N;

Estrofurate (INN, USAN; development code AY-11483), also known as 17α-(3-furyl)-estra-1,3,5(10),7-tetraene-3,17-diol 3-acetate, is a synthetic, steroidal estrogen that was synthesized in 1967 and studied in the late 1960s and early 1970s but was never marketed.^[1]^[2] It is a relatively weak estrogen in bioassays.^[3]

CAS Number

10322-73-3

PubChem CID

66360

ChemSpider

59738

UNII

0CDE7T54KW

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Estrofurate

References

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Identifiers

IUPAC name [(9S,13S,14S,17S)-17-(furan-3-yl)-17-hydroxy-13-methyl-9,11,12,14,15,16-hexahydro-6H-cyclopenta[a]phenanthren-3-yl] acetate
CAS Number	10322-73-3
PubChem CID	66360
ChemSpider	59738
UNII	0CDE7T54KW
KEGG	D04069
ChEMBL	ChEMBL2104224
CompTox Dashboard (EPA)	DTXSID60883114
Chemical and physical data
Formula	C₂₄H₂₆O₄
Molar mass	378.468 g·mol⁻¹
3D model (JSmol)	Interactive image
SMILES CC(=O)OC1=CC2=C(C=C1)C3CCC4(C(C3=CC2)CCC4(C5=COC=C5)O)C
InChI InChI=1S/C24H26O4/c1-15(25)28-18-4-6-19-16(13-18)3-5-21-20(19)7-10-23(2)22(21)8-11-24(23,26)17-9-12-27-14-17/h4-6,9,12-14,20,22,26H,3,7-8,10-11H2,1-2H3/t20-,22+,23+,24-/m1/s1 Key:AEVUURWLDCELOV-AYVPJYCDSA-N