Basic information
- Name:
Estradiene dione-3-keta
- CAS No.:
5571-36-8
- Molecular Structure:
- Formula:
- C20H26O3
- Molecular Weight:
- 314.42
- Synonyms:
- Estra-5(10),9(11)-diene-3,17-dione,cyclic 3-(ethylene acetal) (7CI,8CI);Spiro[3H-cyclopenta[a]phenanthrene-3,2'-[1,3]dioxolane],estra-5(10),9(11)-diene-3,17-dione deriv.;3,3-(Ethylenedioxy)estra-5(10),9(11)-dien-17-one;Estra-5(10),9(11)-diene-3,17-dione,cyclic 3-(1,2-ethanediyl acetal);
- Density:
- 1.2 g/cm3
- Melting Point:
- 152-154 °C
- Boiling Point:
- 488.1 °C at 760 mmHg
- Flash Point:
- 241.2 °C
- Appearance:
- off-white solid
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Chemistry
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Systematic Name: (8S,13S,14S)-13-Methyl-1,4,6,7,8,12,13,14,15,16-decahydrospiro[cyclopenta[a]phenanthrene-3,2'-[1,3]dioxolan]-17(2H)-one
Molecular Formula: C20H26O3
Molecular Weight: 314.42 g/mol
SMILES: O=C4CC[C@H]5[C@H]1C(\C3=C(/CC1)CC2(OCCO2)CC3)=C/C[C@]45C
InChI: InChI=1/C20H26O3/c1-19-8-6-15-14-7-9-20(22-10-11-23-20)12-13(14)2-3-16(15)17(19)4-5-18(19)21/h6,16-17H,2-5,7-12H2,1H3/t16-,17+,19+/m1/s1
Product Categories:Various Intermediates; Intermediates; Intermediates & Fine Chemicals; Pharmaceuticals
H bond acceptors: 3
Polar Surface Area: 35.53
Index of Refraction: 1.582
Molar Refractivity: 87.15 cm3
Molar Volume: 261 cm3
Polarizability: 34.54×10-24 cm3
Surface Tension: 46.6 dyne/cm
Density: 1.2 g/cm3
Flash Point: 241.2 °C
Enthalpy of Vaporization: 75.42 kJ/mol
Boiling Point: 488.1 °C at 760 mmHg
Melting Point: 152-154 °C
Vapour Pressure of Estradiene dione-3-keta (CAS NO.5571-36-8): 1.12E-09 mmHg at 25 °C
Uses
Estradiene dione-3-keta (CAS NO.5571-36-8) is used as mifepristone intermediate; antiprogestational antiglucocorticoid antagonist steroidal spirooxazole.
Specification
Estradiene dione-3-keta (CAS NO.5571-36-8), its Synonyms are Cyclic-3-(1,2-ethanediyl acetal)-estra-5(10),9(11)-dien-3,17-dione ; 3-Ethylenedioxy-estra-5(10),9(11)-diene-17-one ; Estradiene . It is off-white solid.