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    Chemistry

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    Also known as: 85026-55-7, Rosin (chemical), (2r,3s,4s,5r,6r)-2-(hydroxymethyl)-6-[(e)-3-phenylprop-2-enoxy]oxane-3,4,5-triol, Svs3gu8ay8, 69306-80-5, 3-phenyl-2-propenylbeta-d-glucopyranoside
    Molecular Formula
    C15H20O6
    Molecular Weight
    296.31  g/mol
    InChI Key
    KHPCPRHQVVSZAH-GUNCLKARSA-N
    FDA UNII
    SVS3GU8AY8
    Rosin
    rosin is a natural product found in Piper retrofractum, Rhodiola rosea, and other organisms with data available.
    1 2D Structure

    Rosin

    2 Identification
    2.1 Computed Descriptors
    2.1.1 IUPAC Name
    (2R,3S,4S,5R,6R)-2-(hydroxymethyl)-6-[(E)-3-phenylprop-2-enoxy]oxane-3,4,5-triol
    2.1.2 InChI
    InChI=1S/C15H20O6/c16-9-11-12(17)13(18)14(19)15(21-11)20-8-4-7-10-5-2-1-3-6-10/h1-7,11-19H,8-9H2/b7-4+/t11-,12-,13+,14-,15-/m1/s1
    2.1.3 InChI Key
    KHPCPRHQVVSZAH-GUNCLKARSA-N
    2.1.4 Canonical SMILES
    C1=CC=C(C=C1)C=CCOC2C(C(C(C(O2)CO)O)O)O
    2.1.5 Isomeric SMILES
    C1=CC=C(C=C1)/C=C/CO[C@H]2[C@@H]([C@H]([C@@H]([C@H](O2)CO)O)O)O
    2.2 Other Identifiers
    2.2.1 UNII
    SVS3GU8AY8
    2.3 Synonyms
    2.3.1 MeSH Synonyms

    1. Colophonium

    2. Colophony

    3. Pine Resin

    4. Pine Tar Resin

    5. Pitch Tar

    2.3.2 Depositor-Supplied Synonyms

    1. 85026-55-7

    2. Rosin (chemical)

    3. (2r,3s,4s,5r,6r)-2-(hydroxymethyl)-6-[(e)-3-phenylprop-2-enoxy]oxane-3,4,5-triol

    4. Svs3gu8ay8

    5. 69306-80-5

    6. 3-phenyl-2-propenylbeta-d-glucopyranoside

    7. Beta-d-glucopyranoside,(2e)-3-phenyl-2-propenyl

    8. Chinese Rosin W

    9. Rosin X

    10. Unii-svs3gu8ay8

    11. Rosin (glycoside)

    12. Beta-d-glucopyranoside, 3-phenyl-2-propenyl, (e)-

    13. Chembl4175856

    14. Rosin, >=95% (hplc)

    15. Schembl15641934

    16. Schembl15641935

    17. Dtxsid60904535

    18. Hy-n0508

    19. Zinc4096342

    20. 3-phenylallyl Beta-d-glucopyranoside

    21. Mfcd23103373

    22. Akos016009311

    23. Rosin Soap (disproportionated) Solution

    24. As-84060

    25. 3-phenyl-2-propenyl Beta-d-glucopyranoside

    26. Cs-0009048

    27. N2694

    28. Trans-cinnamyl .beta.-d-glucopyranoside

    29. (e)-3-phenyl-2-propenyl Beta-d-glucopyranoside

    30. (2e)-3-phenyl-2-propen-1-yl -d-glucopyranoside

    31. 306p805

    32. Beta-d-glucopyranoside, (2e)-3-phenyl-2-propenyl

    33. Q-100859

    34. Q15424776

    35. (2e)-3-phenyl-2-propen-1-yl .beta.-d-glucopyranoside

    36. .beta.-d-glucopyranoside, (2e)-3-phenyl-2-propenyl

    37. .beta.-d-glucopyranoside, 3-phenyl-2-propenyl, (e)-

    38. .beta.-d-glucopyranoside, (2e)-3-phenyl-2-propen-1-yl

    2.4 Create Date
    2005-06-24
    3 Chemical and Physical Properties
    Molecular Weight 296.31 g/mol
    Molecular Formula C15H20O6
    XLogP3-0.1
    Hydrogen Bond Donor Count4
    Hydrogen Bond Acceptor Count6
    Rotatable Bond Count5
    Exact Mass296.12598835 g/mol
    Monoisotopic Mass296.12598835 g/mol
    Topological Polar Surface Area99.4 Ų
    Heavy Atom Count21
    Formal Charge0
    Complexity328
    Isotope Atom Count0
    Defined Atom Stereocenter Count5
    Undefined Atom Stereocenter Count0
    Defined Bond Stereocenter Count1
    Undefined Bond Stereocenter Count0
    Covalently Bonded Unit Count1

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