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    Technical details about Cholesterol-3,4-13C2, learn more about the structure, uses, toxicity, action, side effects and more

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    Cholesterol-3,4-13C2

    ACTIVE PHARMA INGREDIENTS

    PharmaCompass
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    2D Structure
    Also known as: Cholesterol-13c2, 78887-48-6, Dtxsid00486648, Hy-n0322s5, Cs-0375988, Cholesterol-3,4-13c2, s & p tested, 99 atom % 13c
    Molecular Formula
    C27H46O
    Molecular Weight
    388.6  g/mol
    InChI Key
    HVYWMOMLDIMFJA-WKKCFSIESA-N
    1 2D Structure

    2D Structure

    2 Identification
    2.1 Computed Descriptors
    2.1.1 IUPAC Name
    (3S,8S,9S,10R,13R,14S,17R)-10,13-dimethyl-17-[(2R)-6-methylheptan-2-yl]-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-ol
    2.1.2 InChI
    InChI=1S/C27H46O/c1-18(2)7-6-8-19(3)23-11-12-24-22-10-9-20-17-21(28)13-15-26(20,4)25(22)14-16-27(23,24)5/h9,18-19,21-25,28H,6-8,10-17H2,1-5H3/t19-,21+,22+,23-,24+,25+,26+,27-/m1/s1/i17+1,21+1
    2.1.3 InChI Key
    HVYWMOMLDIMFJA-WKKCFSIESA-N
    2.1.4 Canonical SMILES
    CC(C)CCCC(C)C1CCC2C1(CCC3C2CC=C4C3(CCC(C4)O)C)C
    2.1.5 Isomeric SMILES
    C[C@H](CCCC(C)C)[C@H]1CC[C@@H]2[C@@]1(CC[C@H]3[C@H]2CC=C4[C@@]3(CC[13C@@H]([13CH2]4)O)C)C
    2.2 Synonyms
    2.2.1 Depositor-Supplied Synonyms

    1. Cholesterol-13c2

    2. 78887-48-6

    3. Dtxsid00486648

    4. Hy-n0322s5

    5. Cs-0375988

    6. Cholesterol-3,4-13c2, S & P Tested, 99 Atom % 13c

    2.3 Create Date
    2007-02-07
    3 Chemical and Physical Properties
    Molecular Weight 388.6 g/mol
    Molecular Formula C27H46O
    XLogP38.7
    Hydrogen Bond Donor Count1
    Hydrogen Bond Acceptor Count1
    Rotatable Bond Count5
    Exact Mass388.361575757 g/mol
    Monoisotopic Mass388.361575757 g/mol
    Topological Polar Surface Area20.2 Ų
    Heavy Atom Count28
    Formal Charge0
    Complexity591
    Isotope Atom Count2
    Defined Atom Stereocenter Count8
    Undefined Atom Stereocenter Count0
    Defined Bond Stereocenter Count0
    Undefined Bond Stereocenter Count0
    Covalently Bonded Unit Count1