Demulen

Molecular Formula: C₄₄H₅₆O₆

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

InChIKey: InChIKey=STZJJZZLAXIFHB-DIRPKPHOBQ
SMILES: CC(=O)OC1CCC2C3CCC4(C(C3CCC2=C1)CCC4(C#C)OC(=O)C)C.CC12CCC3C(C1CCC2(C#C)O)CCC4=C3C=CC(=C4)O

Names:
    Bisecurin II
    Bisecurin
    Conova 30
    Demulen
    Ethynodiol diacetate mixt. with ethynylestradiol
    Ethynylestradiol mixt. with ethynodiol diacetate
    Ovamin 30
    Ovulen 30
    SC 11800 EE
    SC-11800 EE
    [(3S,8R,9S,10R,13S,14S,17S)-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; (8S,9S,13S,14S,17S)-17-ethynyl-13-methyl-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthrene-3,17-diol

Registries:
    PubChem CID 66466
    PubChem ID 208548