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    CAS-33564-31-7

    ACTIVE PHARMA INGREDIENTS

    FINISHED DOSAGE FORMULATIONS

    RELATED EXCIPIENT COMPANIES

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    DIGITAL CONTENT

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    REF. STANDARDS & IMPURITIES

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    2D Structure
    Also known as: 17-oxoandrost-5-en-3-yl acetate #, Dehydroepiendrosterone acetate, Schembl7614220, 5-dehydroisoandrosterone acetate, Dtxsid90859549, Zinc4063548
    Molecular Formula
    C21H30O3
    Molecular Weight
    330.5  g/mol
    InChI Key
    NCMZQTLCXHGLOK-KPKYYQPRSA-N
    1 2D Structure

    2D Structure

    2 Identification
    2.1 Computed Descriptors
    2.1.1 IUPAC Name
    [(3R,8R,9S,10R,13S,14S)-10,13-dimethyl-17-oxo-1,2,3,4,7,8,9,11,12,14,15,16-dodecahydrocyclopenta[a]phenanthren-3-yl] acetate
    2.1.2 InChI
    InChI=1S/C21H30O3/c1-13(22)24-15-8-10-20(2)14(12-15)4-5-16-17-6-7-19(23)21(17,3)11-9-18(16)20/h4,15-18H,5-12H2,1-3H3/t15-,16+,17+,18+,20+,21+/m1/s1
    2.1.3 InChI Key
    NCMZQTLCXHGLOK-KPKYYQPRSA-N
    2.1.4 Canonical SMILES
    CC(=O)OC1CCC2(C3CCC4(C(C3CC=C2C1)CCC4=O)C)C
    2.1.5 Isomeric SMILES
    CC(=O)O[C@@H]1CC[C@@]2([C@H]3CC[C@]4([C@H]([C@@H]3CC=C2C1)CCC4=O)C)C
    2.2 Synonyms
    2.2.1 Depositor-Supplied Synonyms

    1. 17-oxoandrost-5-en-3-yl Acetate #

    2. Dehydroepiendrosterone Acetate

    3. Schembl7614220

    4. 5-dehydroisoandrosterone Acetate

    5. Dtxsid90859549

    6. Zinc4063548

    7. 17-oxoandrost-5-en-3alpha-yl Acetate

    8. Androst-5-en-17-one, 3-(acetyloxy)-, (3.beta.)-

    2.3 Create Date
    2006-10-26
    3 Chemical and Physical Properties
    Molecular Weight 330.5 g/mol
    Molecular Formula C21H30O3
    XLogP33.8
    Hydrogen Bond Donor Count0
    Hydrogen Bond Acceptor Count3
    Rotatable Bond Count2
    Exact Mass330.21949481 g/mol
    Monoisotopic Mass330.21949481 g/mol
    Topological Polar Surface Area43.4 Ų
    Heavy Atom Count24
    Formal Charge0
    Complexity606
    Isotope Atom Count0
    Defined Atom Stereocenter Count6
    Undefined Atom Stereocenter Count0
    Defined Bond Stereocenter Count0
    Undefined Bond Stereocenter Count0
    Covalently Bonded Unit Count1