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    Withanolide D

    PharmaCompass
    Xls

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    2D Structure
    Also known as: 30655-48-2, Xy366xv8jt, Nsc-179841, Dtxsid901317760, 5,6-epoxy-4,20,22-trihydroxy-1-oxoergosta-2,24-dien-26-oic acid delta-lactone, (1s,2r,6s,7r,9r,11s,12s,15s,16s)-15-[(1r)-1-[(2r)-4,5-dimethyl-6-oxo-2,3-dihydropyran-2-yl]-1-hydroxyethyl]-6-hydroxy-2,16-dimethyl-8-oxapentacyclo[9.7.0.02,7.07,9.012,16]octadec-4-en-3-one
    Molecular Formula
    C28H38O6
    Molecular Weight
    470.6  g/mol
    InChI Key
    SASUFNRGCZMRFD-JCUIILOWSA-N
    FDA UNII
    XY366XV8JT
    structure
    1 2D Structure

    2D Structure

    2 Identification
    2.1 Computed Descriptors
    2.1.1 IUPAC Name
    (1S,2R,6S,7R,9R,11S,12S,15S,16S)-15-[(1R)-1-[(2R)-4,5-dimethyl-6-oxo-2,3-dihydropyran-2-yl]-1-hydroxyethyl]-6-hydroxy-2,16-dimethyl-8-oxapentacyclo[9.7.0.02,7.07,9.012,16]octadec-4-en-3-one
    2.1.2 InChI
    InChI=1S/C28H38O6/c1-14-12-22(33-24(31)15(14)2)27(5,32)19-7-6-17-16-13-23-28(34-23)21(30)9-8-20(29)26(28,4)18(16)10-11-25(17,19)3/h8-9,16-19,21-23,30,32H,6-7,10-13H2,1-5H3/t16-,17-,18-,19-,21-,22+,23+,25-,26-,27+,28+/m0/s1
    2.1.3 InChI Key
    SASUFNRGCZMRFD-JCUIILOWSA-N
    2.2 Other Identifiers
    2.2.1 UNII
    XY366XV8JT
    2.3 Synonyms
    2.3.1 MeSH Synonyms

    1. 5,6-epoxy-4,20,22-trihydroxy-1-oxoergosta-2,24-dien-26-oic Acid Delta-lactone

    2.3.2 Depositor-Supplied Synonyms

    1. 30655-48-2

    2. Xy366xv8jt

    3. Nsc-179841

    4. Dtxsid901317760

    5. 5,6-epoxy-4,20,22-trihydroxy-1-oxoergosta-2,24-dien-26-oic Acid Delta-lactone

    6. (1s,2r,6s,7r,9r,11s,12s,15s,16s)-15-[(1r)-1-[(2r)-4,5-dimethyl-6-oxo-2,3-dihydropyran-2-yl]-1-hydroxyethyl]-6-hydroxy-2,16-dimethyl-8-oxapentacyclo[9.7.0.02,7.07,9.012,16]octadec-4-en-3-one

    7. Chebi:10041

    8. (1s,2r,6s,7r,9r,11s,12s,15s,16s)-15-((1r)-1-((2r)-4,5-dimethyl-6-oxo-2,3-dihydropyran-2-yl)-1-hydroxyethyl)-6-hydroxy-2,16-dimethyl-8-oxapentacyclo(9.7.0.02,7.07,9.012,16)octadec-4-en-3-one

    9. Refchem:51640

    10. Dtxcid001747562

    11. (4 Beta,5 Beta,6 Beta,22r)-5,6-epoxy-4,20,22-trihydroxy-1-oxoergosta-2,24-dien-26-oic Acid, Delta-lactone

    12. Withania Somnifera

    13. Dong Quai

    14. Withanolide D(p)

    15. Danggui

    16. Withanolided

    17. Indian Ginseng

    18. Chinese Angelica

    19. State Of Return

    20. Dang Gui Wei

    21. Dong Quai Root

    22. Tang Kuei Root

    23. Dang Gui Root

    24. Dang Gui Shen

    25. Dong Gui Root

    26. Dang Gui Tou

    27. Winter Cherry Root

    28. Dihydrowithanolide D

    29. Chinese Angelica Root

    30. Nsc 179841

    31. Ajagandha Whole

    32. Angelica Sinensis Root

    33. Asgandh Whole

    34. Ashwaganda Root

    35. Asgandh Root

    36. Ashvagandba Root

    37. Ashwaganda Whole

    38. Ashwagandha Root

    39. Ashvagandba Whole

    40. Ashvagandha Whole

    41. Ashwagandha Whole

    42. Angelicae Sinensis Radix

    43. Angelica Sinensis, Radix

    44. Kanaje Hindi Whole

    45. Winter-cherry Root

    46. Winter Cherry Whole

    47. Unii-xy366xv8jt

    48. Indian Ginseng Whole

    49. Samm Al Ferakh Whole

    50. Amukkara In Tamil Whole

    51. Schembl2231859

    52. Chembl4288984

    53. Angelica Sinensis (oliv.) Diels

    54. Ns00125219

    55. C08842

    56. Q27089384

    57. (20r,22r)-5beta,6beta-epoxy-4beta,20-dihydroxy-1-oxowith-2-en-24-enolide

    58. (4beta,5beta,6beta,22r)-4,20-dihydroxy-5,6:22,26-diepoxyergosta-2,24-diene-1,26-dione

    59. (4beta,5beta,6beta,22r)-5,6-epoxy-4,20,22-trihydroxy-1-oxoergosta-2,24-dien-26-oic Acid, Delta-lactone

    60. [(1r)-1-[(2r)-4,5-dimethyl-6-oxo-2,3-dihydropyran-2-yl]-1-hydroxy-ethyl]-hydroxy-dimethyl-[?]one

    61. 5.beta.-ergosta-2,24-dien-26-oic Acid, 5,6.beta.-epoxy-4.beta.,20,22-trihydroxy-1-oxo-, .delta.-lactone, (20s,22r)-

    62. Ergosta-2,24-dien-26-oic Acid, 5,6-epoxy-4,20,22-trihydroxy-1-oxo-, .delta.-lactone, (4.beta.,5.beta.,6.beta.,22r)-

    2.4 Create Date
    2005-06-24
    3 Chemical and Physical Properties
    Molecular Weight 470.6 g/mol
    Molecular Formula C28H38O6
    XLogP33.1
    Hydrogen Bond Donor Count2
    Hydrogen Bond Acceptor Count6
    Rotatable Bond Count2
    Exact Mass Da
    Monoisotopic Mass Da
    Topological Polar Surface Area96.4
    Heavy Atom Count34
    Formal Charge0
    Complexity1030
    Isotope Atom Count0
    Defined Atom Stereocenter Count11
    Undefined Atom Stereocenter Count0
    Defined Bond Stereocenter Count0
    Undefined Bond Stereocenter Count0
    Covalently Bonded Unit Count1