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    Technical details about Phytosterols, learn more about the structure, uses, toxicity, action, side effects and more

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    Phytosterols

    APIs // Active Pharmaceutical Ingredients

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    PharmaCompass

    Biopharma Group offers CDMO services with expertise in contract R&D for dried products & liquid formulations.

    Rochem, your partner in developing, sourcing, and supplying pharmaceutical & animal health ingredients of Chinese origin.

    2D Structure
    1. Also known as: 68441-03-2, (3s,8s,9s,10r,13r,17r)-17-[(2r,5r)-5-ethyl-6-methylheptan-2-yl]-10,13-dimethyl-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1h-cyclopenta[a]phenanthren-3-ol, Steroids, hydroxy, ethoxylated, 949109-75-5, Ac-13728, (3s,8s,9s,10r,13r,17r)-17-((2r,5r)-5-ethyl-6-methylheptan-2-yl)-10,13-dimethyl-2,3,4,7,8,9,10,11,12,13,14,15,16,17-tetradecahydro-1h-cyclopenta[a]phenanthren-3-ol
    Molecular Formula
    C29H50O
    Molecular Weight
    414.7  g/mol
    InChI Key
    KZJWDPNRJALLNS-ICLVQLPZSA-N
    A class of organic compounds known as STEROLS or STEROIDS derived from plants.
    1 2D Structure

    2D Structure

    2 Identification
    2.1 Computed Descriptors
    2.1.1 IUPAC Name
    (3S,8S,9S,10R,13R,17R)-17-[(2R,5R)-5-ethyl-6-methylheptan-2-yl]-10,13-dimethyl-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/C29H50O/c1-7-21(19(2)3)9-8-20(4)25-12-13-26-24-11-10-22-18-23(30)14-16-28(22,5)27(24)15-17-29(25,26)6/h10,19-21,23-27,30H,7-9,11-18H2,1-6H3/t20-,21-,23+,24+,25-,26?,27+,28+,29-/m1/s1
    2.1.3 InChI Key
    KZJWDPNRJALLNS-ICLVQLPZSA-N
    2.1.4 Canonical SMILES
    CCC(CCC(C)C1CCC2C1(CCC3C2CC=C4C3(CCC(C4)O)C)C)C(C)C
    2.1.5 Isomeric SMILES
    CC[C@H](CC[C@@H](C)[C@H]1CCC2[C@@]1(CC[C@H]3[C@H]2CC=C4[C@@]3(CC[C@@H](C4)O)C)C)C(C)C
    2.2 Synonyms
    2.2.1 MeSH Synonyms

    1. Phytosteroid

    2. Phytosteroids

    3. Phytosterol

    4. Plant Steroid

    5. Plant Steroids

    6. Plant Sterol

    7. Plant Sterols

    8. Steroid, Plant

    9. Steroids, Plant

    10. Sterol, Plant

    11. Sterols, Plant

    2.2.2 Depositor-Supplied Synonyms

    1. 68441-03-2

    2. (3s,8s,9s,10r,13r,17r)-17-[(2r,5r)-5-ethyl-6-methylheptan-2-yl]-10,13-dimethyl-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1h-cyclopenta[a]phenanthren-3-ol

    3. Steroids, Hydroxy, Ethoxylated

    4. 949109-75-5

    5. Ac-13728

    6. (3s,8s,9s,10r,13r,17r)-17-((2r,5r)-5-ethyl-6-methylheptan-2-yl)-10,13-dimethyl-2,3,4,7,8,9,10,11,12,13,14,15,16,17-tetradecahydro-1h-cyclopenta[a]phenanthren-3-ol

    2.3 Create Date
    2007-02-07
    3 Chemical and Physical Properties
    Molecular Weight 414.7 g/mol
    Molecular Formula C29H50O
    XLogP39.3
    Hydrogen Bond Donor Count1
    Hydrogen Bond Acceptor Count1
    Rotatable Bond Count6
    Exact Mass414.386166214 g/mol
    Monoisotopic Mass414.386166214 g/mol
    Topological Polar Surface Area20.2 Ų
    Heavy Atom Count30
    Formal Charge0
    Complexity634
    Isotope Atom Count0
    Defined Atom Stereocenter Count8
    Undefined Atom Stereocenter Count1
    Defined Bond Stereocenter Count0
    Undefined Bond Stereocenter Count0
    Covalently Bonded Unit Count1
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