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

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    Caftaric Acid

    REF. STANDARDS & IMPURITIES

    PharmaCompass

    Veranova: A CDMO that manages complexity with confidence.

    Axplora- The partner of choice for complex APIs.

    2D Structure
    1. Also known as: 67879-58-7, Trans-caftaric acid, (2r,3r)-2-[(e)-3-(3,4-dihydroxyphenyl)prop-2-enoyl]oxy-3-hydroxybutanedioic acid, Caffeoyltartaricacid, Wcv7w3174l, 1234-09-9
    Molecular Formula
    C13H12O9
    Molecular Weight
    312.23  g/mol
    InChI Key
    SWGKAHCIOQPKFW-JTNORFRNSA-N
    FDA UNII
    WCV7W3174L
    Caftaric acid is a metabolite found in or produced by Saccharomyces cerevisiae.
    1 2D Structure

    2D Structure

    2 Identification
    2.1 Computed Descriptors
    2.1.1 IUPAC Name
    (2R,3R)-2-[(E)-3-(3,4-dihydroxyphenyl)prop-2-enoyl]oxy-3-hydroxybutanedioic acid
    2.1.2 InChI
    InChI=1S/C13H12O9/c14-7-3-1-6(5-8(7)15)2-4-9(16)22-11(13(20)21)10(17)12(18)19/h1-5,10-11,14-15,17H,(H,18,19)(H,20,21)/b4-2+/t10-,11-/m1/s1
    2.1.3 InChI Key
    SWGKAHCIOQPKFW-JTNORFRNSA-N
    2.1.4 Canonical SMILES
    C1=CC(=C(C=C1C=CC(=O)OC(C(C(=O)O)O)C(=O)O)O)O
    2.1.5 Isomeric SMILES
    C1=CC(=C(C=C1/C=C/C(=O)O[C@H]([C@H](C(=O)O)O)C(=O)O)O)O
    2.2 Other Identifiers
    2.2.1 UNII
    WCV7W3174L
    2.3 Synonyms
    2.3.1 Depositor-Supplied Synonyms

    1. 67879-58-7

    2. Trans-caftaric Acid

    3. (2r,3r)-2-[(e)-3-(3,4-dihydroxyphenyl)prop-2-enoyl]oxy-3-hydroxybutanedioic Acid

    4. Caffeoyltartaricacid

    5. Wcv7w3174l

    6. 1234-09-9

    7. Caffeoyltartaric Acid

    8. Butanedioic Acid, 2-(((2e)-3-(3,4-dihydroxyphenyl)-1-oxo-2-propen-1-yl)oxy)-3-hydroxy-, (2r,3r)-

    9. 2-caffeoyl-l-tartaric Acid

    10. Unii-wcv7w3174l

    11. Caffeoyl Tartaric Acid

    12. Monocaffeoyltartaric Acid

    13. Boc,tbu-beta-ala-oh

    14. Caftaric Acid , Hplc Grade

    15. Butanedioic Acid, 2-(3-(3,4-dihydroxyphenyl)-1-oxo-2-propenyl)-3-hydroxy-, (r-(r*,r*-(e)))-

    16. Caftaric Acid, >=97.0%

    17. Chembl558557

    18. Caftaric Acid [usp-rs]

    19. Dtxsid3036866

    20. Schembl16426394

    21. Chebi:174975

    22. Caftaric Acid, Analytical Standard

    23. Hy-n0321

    24. Zinc2389524

    25. Mfcd02094177

    26. S3308

    27. Akos022175477

    28. (2r,3r)-2-[(e)-3-(3,4-dihydroxyphenyl)prop-2-enoyl]oxy-3-hydroxy-butanedioic Acid

    29. Ac-34146

    30. As-79234

    31. N2169

    32. 879c587

    33. A835919

    34. Q-100761

    35. Q5017207

    36. Caftaric Acid, United States Pharmacopeia (usp) Reference Standard

    37. (2r,3r)-2-(((2e)-3-(3,4-dihydroxyphenyl)-2-propenoyl)oxy)-3-hydroxysuccinic Acid

    38. (2r,3r)-2-((e)-3-(3,4-dihydroxyphenyl)acryloyloxy)-3-hydroxysuccinic Acid

    39. (2r,3r)-2-{[(2e)-3-(3,4-dihydroxyphenyl)prop-2-enoyl]oxy}-3-hydroxybutanedioic Acid

    40. (2r,3r)-2-{[3-(3,4-dihydroxyphenyl)prop-2-enoyl]oxy}-3-hydroxybutanedioic Acid

    41. 2-caffeoyl-l-tartaric Acid;2-[3-(3,4-dihydroxyphenyl)prop-2-enoyloxy]-3-hydroxy-butanedioic Acid

    42. Caftaric Acid (constituent Of Echinacea Angustifolia Root, Echinacea Pallida Root, Echinacea Purpurea Root And Echinacea Purpurea Aerial Parts) [dsc]

    2.4 Create Date
    2006-04-28
    3 Chemical and Physical Properties
    Molecular Weight 312.23 g/mol
    Molecular Formula C13H12O9
    XLogP30.1
    Hydrogen Bond Donor Count5
    Hydrogen Bond Acceptor Count9
    Rotatable Bond Count7
    Exact Mass312.04813196 g/mol
    Monoisotopic Mass312.04813196 g/mol
    Topological Polar Surface Area162 Ų
    Heavy Atom Count22
    Formal Charge0
    Complexity458
    Isotope Atom Count0
    Defined Atom Stereocenter Count2
    Undefined Atom Stereocenter Count0
    Defined Bond Stereocenter Count1
    Undefined Bond Stereocenter Count0
    Covalently Bonded Unit Count1
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