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

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    Digitoxigenin

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    Phyton is a World Leader in Plant Cell Fermentation Technology and Commercial Manufacturing.

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    2D Structure
    1. Also known as: 143-62-4, Cerberigenin, Echujetin, Thevetigenin, Evonogenin, Digitoxigenine
    Molecular Formula
    C23H34O4
    Molecular Weight
    374.5  g/mol
    InChI Key
    XZTUSOXSLKTKJQ-CESUGQOBSA-N
    FDA UNII
    S63WOD4VOL
    3 beta,14-Dihydroxy-5 beta-card-20(22)enolide. A cardenolide which is the aglycon of digitoxin. Synonyms: Cerberigenin; Echujetin; Evonogenin; Thevetigenin.
    1 2D Structure

    2D Structure

    2 Identification
    2.1 Computed Descriptors
    2.1.1 IUPAC Name
    3-[(3S,5R,8R,9S,10S,13R,14S,17R)-3,14-dihydroxy-10,13-dimethyl-1,2,3,4,5,6,7,8,9,11,12,15,16,17-tetradecahydrocyclopenta[a]phenanthren-17-yl]-2H-furan-5-one
    2.1.2 InChI
    InChI=1S/C23H34O4/c1-21-8-5-16(24)12-15(21)3-4-19-18(21)6-9-22(2)17(7-10-23(19,22)26)14-11-20(25)27-13-14/h11,15-19,24,26H,3-10,12-13H2,1-2H3/t15-,16+,17-,18+,19-,21+,22-,23+/m1/s1
    2.1.3 InChI Key
    XZTUSOXSLKTKJQ-CESUGQOBSA-N
    2.1.4 Canonical SMILES
    CC12CCC(CC1CCC3C2CCC4(C3(CCC4C5=CC(=O)OC5)O)C)O
    2.1.5 Isomeric SMILES
    C[C@]12CC[C@@H](C[C@H]1CC[C@@H]3[C@@H]2CC[C@]4([C@@]3(CC[C@@H]4C5=CC(=O)OC5)O)C)O
    2.2 Other Identifiers
    2.2.1 UNII
    S63WOD4VOL
    2.3 Synonyms
    2.3.1 MeSH Synonyms

    1. Uzarigenin

    2.3.2 Depositor-Supplied Synonyms

    1. 143-62-4

    2. Cerberigenin

    3. Echujetin

    4. Thevetigenin

    5. Evonogenin

    6. Digitoxigenine

    7. Uzarigenin

    8. Mls002153810

    9. 3-[(3s,5r,8r,9s,10s,13r,14s,17r)-3,14-dihydroxy-10,13-dimethyl-1,2,3,4,5,6,7,8,9,11,12,15,16,17-tetradecahydrocyclopenta[a]phenanthren-17-yl]-2h-furan-5-one

    10. S63wod4vol

    11. Nsc 407806

    12. Chebi:42219

    13. 3beta,14-dihydroxy-5beta-card-20(22)-enolide

    14. Nsc-407806

    15. Smr001233182

    16. 3-beta,14beta-dihydroxy-5-beta-card-20(22)-enolide

    17. 3.beta.,14-dihydroxy-5.beta.-card-20(22)-enolide

    18. .delta.20:22-3,14,21-trihydroxynorcholenic Acid Lactone

    19. Card-20(22)-enolide, 3,14-dihydroxy-, (3.beta.,5.beta.)-

    20. Dtx

    21. Mls002701726

    22. Unii-s63wod4vol

    23. Nsc407806

    24. 1lnm

    25. 4-(3,14-dihydroxy-10,13-dimethyl-hexadecahydro-cyclopenta[a]phenanthren-17-yl)-5h-furan-2-one

    26. Prestwick_169

    27. Einecs 205-603-4

    28. Mfcd00003687

    29. Brn 0095448

    30. 3-beta,14-dioxy-carden-(20:22)-olid

    31. 3-beta,14-dioxy-digen-(20:22)-olid

    32. Cardogenen-(20:22)-diol-(3-beta,14)

    33. Prestwick0_000436

    34. Prestwick1_000436

    35. Prestwick2_000436

    36. Prestwick3_000436

    37. Digitoxigenin [mi]

    38. (+)-digitoxigenin

    39. Chembl1453

    40. 3-beta,14-dioxy-digen-(20:22)-olid [german]

    41. Schembl61224

    42. Bspbio_000452

    43. 3-beta,14-dihydroxy-5-beta-card-20(22)-enolide

    44. 3-beta,14-dioxy-carden-(20:22)-olid [german]

    45. 5-18-03-00348 (beilstein Handbook Reference)

    46. Cardogenen-(20:22)-diol-(3-beta,14) [german]

    47. Spbio_002391

    48. Bpbio1_000498

    49. Delta20:22-3,14,21-trihydroxynorcholenic Acid Lactone

    50. Bdbm66977

    51. Cid_4369270

    52. Card-20(22)-enolide, 3,14-dihydroxy-, (3beta,5beta)-

    53. Dtxsid80162276

    54. 3-beta,14-dihydroxy-5-beta,14-beta-card-20(22)-enolide

    55. Card-20(22)-enolide, 3,14-dihydroxy-, (3-beta,5-beta)-

    56. Delta-sup(20:22)-3,14,21-trihydroxynorcholenic Acid Lactone

    57. Delta-sup(20:22)-3,14,21-trihydroxynorcholenicacid Lactone

    58. Hms1569g14

    59. Hms2096g14

    60. Hms2231j22

    61. Hms3713g14

    62. Zinc3875959

    63. Lmst01120001

    64. Akos015915862

    65. Ccg-220436

    66. Db04177

    67. Ncgc00179555-01

    68. 3-.beta.,14-dioxy-digen-(20:22)-olid

    69. D0541

    70. Cardogenen-(20:22)-diol-(3-.beta.,14)

    71. 5.beta.-card-20(22)-enolide,14-dihydroxy-

    72. 3-beta, 14-beta-card-20(22)-enolide

    73. Q411469

    74. Sr-01000841188

    75. 5beta-card-20(22)-enolide, 3beta,14-dihydroxy-

    76. Sr-01000841188-2

    77. Brd-k18518344-001-03-5

    78. .delta.20:22-3,21-trihydroxynorcholenic Acid Lactone

    79. 5.beta.-card-20(22)-enolide, 3.beta.,14-dihydroxy

    80. 5.beta.-card-20(22)-enolide, 3.beta.,14-dihydroxy-

    81. Wln: L E5 B666tj A1 E1 F- Dt5ov Cutj Iq Oq

    82. (3alpha,5beta,8alpha)-3,14-dihydroxycard-20(22)-enolide

    83. 5-beta-card-20(22)-enolide, 3-beta,14-dihydroxy-

    84. .delta.-sup(20:22)-3,21-trihydroxynorcholenic Acid Lactone

    85. 3,14-dihydroxycard-20(22)-enolide, (3.beta.,5.beta.)- #

    86. Card-20(22)-enolide,14-dihydroxy-, (3.beta.,5.beta.)-

    87. .delta.-sup(20:22)-3,14,21-trihydroxynorcholenicacid Lactone

    88. 3-[(3s,5r,8r,9s,10s,13r,14s,17r)-10,13-dimethyl-3,14-bis(oxidanyl)-1,2,3,4,5,6,7,8,9,11,12,15,16,17-tetradecahydrocyclopenta[a]phenanthren-17-yl]-2h-furan-5-one

    2.4 Create Date
    2005-06-24
    3 Chemical and Physical Properties
    Molecular Weight 374.5 g/mol
    Molecular Formula C23H34O4
    XLogP32.6
    Hydrogen Bond Donor Count2
    Hydrogen Bond Acceptor Count4
    Rotatable Bond Count1
    Exact Mass374.24570956 g/mol
    Monoisotopic Mass374.24570956 g/mol
    Topological Polar Surface Area66.8 Ų
    Heavy Atom Count27
    Formal Charge0
    Complexity686
    Isotope Atom Count0
    Defined Atom Stereocenter Count8
    Undefined Atom Stereocenter Count0
    Defined Bond Stereocenter Count0
    Undefined Bond Stereocenter Count0
    Covalently Bonded Unit Count1
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