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    API REF. PRICE (USD/KG)

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    $ 1,672

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    Chemistry

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    Also known as: 16-alpha-hydroxy prednisolone, Schembl647326, Akos016002041, Ds-16271
    Molecular Formula
    C21H28O6
    Molecular Weight
    376.4  g/mol
    InChI Key
    SEKYBDYVXDAYPY-YGICJOMNSA-N
    16Alpha-Hydroxyprednisolone
    1 2D Structure

    16Alpha-Hydroxyprednisolone

    2 Identification
    2.1 Computed Descriptors
    2.1.1 IUPAC Name
    (8S,9S,10R,13S,14S,16R,17S)-11,16,17-trihydroxy-17-(2-hydroxyacetyl)-10,13-dimethyl-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthren-3-one
    2.1.2 InChI
    InChI=1S/C21H28O6/c1-19-6-5-12(23)7-11(19)3-4-13-14-8-16(25)21(27,17(26)10-22)20(14,2)9-15(24)18(13)19/h5-7,13-16,18,22,24-25,27H,3-4,8-10H2,1-2H3/t13-,14-,15?,16+,18+,19-,20-,21-/m0/s1
    2.1.3 InChI Key
    SEKYBDYVXDAYPY-YGICJOMNSA-N
    2.1.4 Canonical SMILES
    CC12CC(C3C(C1CC(C2(C(=O)CO)O)O)CCC4=CC(=O)C=CC34C)O
    2.1.5 Isomeric SMILES
    C[C@]12CC([C@H]3[C@H]([C@@H]1C[C@H]([C@@]2(C(=O)CO)O)O)CCC4=CC(=O)C=C[C@]34C)O
    2.2 Synonyms
    2.2.1 Depositor-Supplied Synonyms

    1. 16-alpha-hydroxy Prednisolone

    2. Schembl647326

    3. Akos016002041

    4. Ds-16271

    2.3 Create Date
    2007-12-05
    3 Chemical and Physical Properties
    Molecular Weight 376.4 g/mol
    Molecular Formula C21H28O6
    XLogP31.2
    Hydrogen Bond Donor Count4
    Hydrogen Bond Acceptor Count6
    Rotatable Bond Count2
    Exact Mass376.18858861 g/mol
    Monoisotopic Mass376.18858861 g/mol
    Topological Polar Surface Area115 Ų
    Heavy Atom Count27
    Formal Charge0
    Complexity756
    Isotope Atom Count0
    Defined Atom Stereocenter Count7
    Undefined Atom Stereocenter Count1
    Defined Bond Stereocenter Count0
    Undefined Bond Stereocenter Count0
    Covalently Bonded Unit Count1

    API SUPPLIERS

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    API Reference Price

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    03-Aug-2022
    26-Mar-2024
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