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8075-78-3

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CAS No.: 8075-78-3
Name: (3beta,17beta)-17-ethynylestr-4-ene-3,17-diyl diacetate - (17beta)-17-ethynylestra-1,3,5(10)-triene-3,17-diol (1:1)
Molecular Structure:
Molecular Structure of 8075-78-3 ((3beta,17beta)-17-ethynylestr-4-ene-3,17-diyl diacetate - (17beta)-17-ethynylestra-1,3,5(10)-triene-3,17-diol (1:1))
Formula: C24H32O4•C20H24O2
Molecular Weight: 681.00
Boiling Point: 461.1°C at 760 mmHg
Flash Point: 221.8°C
Safety: Human reproductive effects by ingestion: menstrual cycle changes or disorders. Other experimental reproductive effects. When heated to decomposition it emits acrid smoke and fumes.
PSA: 93.06000
LogP: 8.03850
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Chemistry

IUPAC Name: [(3S,8R,9S,10R,13S,14S,17R)-17-Acetyloxy-17-ethynyl-13-methyl-2,3,6,7,8,9,10,11,12,14,15,16-dodecahydro-1H-cyclopenta[a]phenanthren-3-yl] acetate; (8R,9S,13S,14S,17R)-17-ethynyl-13-methyl-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthrene-3,17-diol
Synonyms of Demulen (CAS NO.8075-78-3) : Bisecurin ; Bisecurin II ; Ethynodiol Diacetate and Ethinyl Estradiol ; Kelnor ; (17alpha)-19-Norpregna-1,3,5(10)-trien-20-yne-3,17-diol, mixt. with (3beta,17alpha)-19-norpregn-4-en-20-yne-3,17-diol diacetate ;19-Norpregna-1,3,5(10)-trien-20-yne-3,17-diol, (17alph)-, mixt. with (3beta,17alpha)-19-norpregn-4-en-20-yne-3,17-diyl-diacetate
InChI:InChI=1/C24H32O4.C20H24O2/c1-5-24(28-16(3)26)13-11-22-21-8-6-17-14-18(27-15(2)25)7-9-19(17)20(21)10-12-23(22,24)4;1-3-20(22)11-9-18-17-6-4-13-12-14(21)5-7-15(13)16(17)8-10-19(18,20)2/h1,14,18-22H,6-13H2,2-4H3;1,5,7,12,16-18,21-22H,4,6,8-11H2,2H3/t18-,19-,20+,21+,22-,23-,24-;16-,17-,18+,19+,20+/m01/s1
CAS NO:8075-78-3
Molecular Formula:C44H56O6          
Molecular Weight :680.9118             
Molecular Structure :
Flash Point: 221.8 °C 
Enthalpy of Vaporization: 72.19 kJ/mol 
Boiling Point: 461.1 °C at 760 mmHg 
Vapour Pressure: 1.11E-08 mmHg at 25°C

Safety Profile

Human reproductive effects by ingestion: menstrual cycle changes or disorders. Other experimental reproductive effects. When Demulen (CAS NO.8075-78-3) is heated to decomposition, it emits acrid smoke and fumes.