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    Technical details about (7alpha)-3,3-dimethoxy-7-methylestr-5(10)-en-17-one, learn more about the structure, uses, toxicity, action, side effects and more

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    (7alpha)-3,3-dimethoxy-7-methylestr-5(10)-en-17-one

    Manufacturers/Suppliers

    PharmaCompass

    Farmhispania Group, a leading European CDMO in HPAPI Technologies & High Potency Fermentation.

    One Pharma aims to be one of the leading generic companies in Europe.

    2D Structure
    1. Also known as: 88247-84-1, 7alpha-methyl-3,3-dimethoxy-5(10)-estrene-17-one, (7r,8r,9s,13s,14s)-3,3-dimethoxy-7,13-dimethyl-1,2,4,6,7,8,9,11,12,14,15,16-dodecahydrocyclopenta[a]phenanthren-17-one, 7 a-methyl-3,3-dimethoxy-5(10)-estrene-17-one, 7a -methyl-3,3-dimethoxy-5(10)-estrene-17-one, Schembl1221866
    Molecular Formula
    C21H32O3
    Molecular Weight
    332.5  g/mol
    InChI Key
    RKALVZFWSBYRNC-HIHRSEIJSA-N
    1 2D Structure

    2D Structure

    2 Identification
    2.1 Computed Descriptors
    2.1.1 IUPAC Name
    (7R,8R,9S,13S,14S)-3,3-dimethoxy-7,13-dimethyl-1,2,4,6,7,8,9,11,12,14,15,16-dodecahydrocyclopenta[a]phenanthren-17-one
    2.1.2 InChI
    InChI=1S/C21H32O3/c1-13-11-14-12-21(23-3,24-4)10-8-15(14)16-7-9-20(2)17(19(13)16)5-6-18(20)22/h13,16-17,19H,5-12H2,1-4H3/t13-,16-,17+,19-,20+/m1/s1
    2.1.3 InChI Key
    RKALVZFWSBYRNC-HIHRSEIJSA-N
    2.1.4 Canonical SMILES
    CC1CC2=C(CCC(C2)(OC)OC)C3C1C4CCC(=O)C4(CC3)C
    2.1.5 Isomeric SMILES
    C[C@@H]1CC2=C(CCC(C2)(OC)OC)[C@@H]3[C@@H]1[C@@H]4CCC(=O)[C@]4(CC3)C
    2.2 Synonyms
    2.2.1 Depositor-Supplied Synonyms

    1. 88247-84-1

    2. 7alpha-methyl-3,3-dimethoxy-5(10)-estrene-17-one

    3. (7r,8r,9s,13s,14s)-3,3-dimethoxy-7,13-dimethyl-1,2,4,6,7,8,9,11,12,14,15,16-dodecahydrocyclopenta[a]phenanthren-17-one

    4. 7 A-methyl-3,3-dimethoxy-5(10)-estrene-17-one

    5. 7a -methyl-3,3-dimethoxy-5(10)-estrene-17-one

    6. Schembl1221866

    7. Dtxsid50572202

    8. Mfcd08063855

    9. Zinc26892511

    10. Akos015896692

    11. Ac-32557

    12. 247m841

    13. Q-102809

    14. (7alpha)-3,3-dimethoxy-7-methylestr-5(10)-en-17-one

    15. 7-alpha-methyl-3,3-dimethoxy -5(10)-estrene-17-one

    16. 7

    17. A Inverted Exclamation Mark-methyl-3,3-dimethoxy-5(10)-estrene-17-one

    2.3 Create Date
    2007-02-09
    3 Chemical and Physical Properties
    Molecular Weight 332.5 g/mol
    Molecular Formula C21H32O3
    XLogP32.8
    Hydrogen Bond Donor Count0
    Hydrogen Bond Acceptor Count3
    Rotatable Bond Count2
    Exact Mass332.23514488 g/mol
    Monoisotopic Mass332.23514488 g/mol
    Topological Polar Surface Area35.5 Ų
    Heavy Atom Count24
    Formal Charge0
    Complexity574
    Isotope Atom Count0
    Defined Atom Stereocenter Count5
    Undefined Atom Stereocenter Count0
    Defined Bond Stereocenter Count0
    Undefined Bond Stereocenter Count0
    Covalently Bonded Unit Count1
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