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    Technical details about CAS 3962-66-1, learn more about the structure, uses, toxicity, action, side effects and more

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    CAS 3962-66-1

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    2D Structure
    1. Also known as: 3962-66-1, 19-norandrost-5(10)-ene-3,17-dione, 19-nor-5(10)-androstene-3,17-dione, 2bh05a59tg, 19-nor-androst-5(10)-ene-3,17-dione, Oestr-5(10)-ene-3,17-dione
    Molecular Formula
    C18H24O2
    Molecular Weight
    272.4  g/mol
    InChI Key
    RORYLAUXKSWMQL-CBZIJGRNSA-N
    FDA UNII
    2BH05A59TG
    1 2D Structure

    2D Structure

    2 Identification
    2.1 Computed Descriptors
    2.1.1 IUPAC Name
    (8R,9S,13S,14S)-13-methyl-1,2,4,6,7,8,9,11,12,14,15,16-dodecahydrocyclopenta[a]phenanthrene-3,17-dione
    2.1.2 InChI
    InChI=1S/C18H24O2/c1-18-9-8-14-13-5-3-12(19)10-11(13)2-4-15(14)16(18)6-7-17(18)20/h14-16H,2-10H2,1H3/t14-,15-,16+,18+/m1/s1
    2.1.3 InChI Key
    RORYLAUXKSWMQL-CBZIJGRNSA-N
    2.1.4 Canonical SMILES
    CC12CCC3C(C1CCC2=O)CCC4=C3CCC(=O)C4
    2.1.5 Isomeric SMILES
    C[C@]12CC[C@H]3[C@H]([C@@H]1CCC2=O)CCC4=C3CCC(=O)C4
    2.2 Other Identifiers
    2.2.1 UNII
    2BH05A59TG
    2.3 Synonyms
    2.3.1 Depositor-Supplied Synonyms

    1. 3962-66-1

    2. 19-norandrost-5(10)-ene-3,17-dione

    3. 19-nor-5(10)-androstene-3,17-dione

    4. 2bh05a59tg

    5. 19-nor-androst-5(10)-ene-3,17-dione

    6. Oestr-5(10)-ene-3,17-dione

    7. Einecs 223-564-1

    8. Unii-2bh05a59tg

    9. Schembl2767885

    10. Dtxsid30960224

    11. Zinc6067837

    12. Mfcd00271641

    13. Akos015896290

    14. Gs-6093

    15. H10480

    16. 962n661

    17. Q-102803

    18. 19-nor-5(10)-androstene-3,17-dione (sex Hormone Intermediate)

    19. (1s,10r,11s,15s)-15-methyltetracyclo[8.7.0.0^{2,7}.0^{11,15}]heptadec-2(7)-ene-5,14-dione

    2.4 Create Date
    2005-08-08
    3 Chemical and Physical Properties
    Molecular Weight 272.4 g/mol
    Molecular Formula C18H24O2
    XLogP31.9
    Hydrogen Bond Donor Count0
    Hydrogen Bond Acceptor Count2
    Rotatable Bond Count0
    Exact Mass272.177630004 g/mol
    Monoisotopic Mass272.177630004 g/mol
    Topological Polar Surface Area34.1 Ų
    Heavy Atom Count20
    Formal Charge0
    Complexity516
    Isotope Atom Count0
    Defined Atom Stereocenter Count4
    Undefined Atom Stereocenter Count0
    Defined Bond Stereocenter Count0
    Undefined Bond Stereocenter Count0
    Covalently Bonded Unit Count1
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