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    [4-(3-Hydroxy-5-phenylpentyl)-2-oxo-3,3a,4,5,6,6a-hexahydrocyclopenta[b]furan-5-yl] benzoate manufacturers and suppliers on PharmaCompass

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    pharmacompass-2-2026-02-09

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    PharmaCompass

    Chemistry

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    Also known as:
    Molecular Formula
    C25H28O5
    Molecular Weight
    408.5  g/mol
    InChI Key
    MBBFNNOWIDFYRJ-UHFFFAOYSA-N
    [4-(3-Hydroxy-5-phenylpentyl)-2-oxo-3,3a,4,5,6,6a-hexahydrocyclopenta[b]furan-5-yl] benzoate
    1 2D Structure

    [4-(3-Hydroxy-5-phenylpentyl)-2-oxo-3,3a,4,5,6,6a-hexahydrocyclopenta[b]furan-5-yl] benzoate

    2 Identification
    2.1 Computed Descriptors
    2.1.1 IUPAC Name
    [4-(3-hydroxy-5-phenylpentyl)-2-oxo-3,3a,4,5,6,6a-hexahydrocyclopenta[b]furan-5-yl] benzoate
    2.1.2 InChI
    InChI=1S/C25H28O5/c26-19(12-11-17-7-3-1-4-8-17)13-14-20-21-15-24(27)29-23(21)16-22(20)30-25(28)18-9-5-2-6-10-18/h1-10,19-23,26H,11-16H2
    2.1.3 InChI Key
    MBBFNNOWIDFYRJ-UHFFFAOYSA-N
    2.1.4 Canonical SMILES
    C1C2C(CC(=O)O2)C(C1OC(=O)C3=CC=CC=C3)CCC(CCC4=CC=CC=C4)O
    2.2 Create Date
    2014-07-01
    3 Chemical and Physical Properties
    Molecular Weight 408.5 g/mol
    Molecular Formula C25H28O5
    XLogP34.6
    Hydrogen Bond Donor Count1
    Hydrogen Bond Acceptor Count5
    Rotatable Bond Count9
    Exact Mass408.19367399 g/mol
    Monoisotopic Mass408.19367399 g/mol
    Topological Polar Surface Area72.8 Ų
    Heavy Atom Count30
    Formal Charge0
    Complexity578
    Isotope Atom Count0
    Defined Atom Stereocenter Count0
    Undefined Atom Stereocenter Count5
    Defined Bond Stereocenter Count0
    Undefined Bond Stereocenter Count0
    Covalently Bonded Unit Count1
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