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

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    Ruscogenin

    ACTIVE PHARMA INGREDIENTS

    PRICE INFORMATION

    PharmaCompass
    $ API Ref.Price (USD/KG) : 2,291Xls

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    2D Structure
    Also known as: 472-11-7, Bxi92r2vuj, Chebi:8913, Spirost-5-ene-1,3-diol, (1b,3b,25r)-, (1beta,3beta,25r)-spirost-5-ene-1,3-diol, (25r)-spirost-5-en-1beta,3beta-diol
    Molecular Formula
    C27H42O4
    Molecular Weight
    430.6  g/mol
    InChI Key
    QMQIQBOGXYYATH-IDABPMKMSA-N
    FDA UNII
    BXI92R2VUJ
    ruscogenin is a natural product found in Sansevieria ehrenbergii, Cordyline rubra, and other organisms with data available.
    1 2D Structure

    2D Structure

    2 Identification
    2.1 Computed Descriptors
    2.1.1 IUPAC Name
    (1S,2S,4S,5'R,6R,7S,8R,9S,12S,13R,14R,16R)-5',7,9,13-tetramethylspiro[5-oxapentacyclo[10.8.0.02,9.04,8.013,18]icos-18-ene-6,2'-oxane]-14,16-diol
    2.1.2 InChI
    InChI=1S/C27H42O4/c1-15-7-10-27(30-14-15)16(2)24-22(31-27)13-21-19-6-5-17-11-18(28)12-23(29)26(17,4)20(19)8-9-25(21,24)3/h5,15-16,18-24,28-29H,6-14H2,1-4H3/t15-,16+,18-,19-,20+,21+,22+,23-,24+,25+,26+,27-/m1/s1
    2.1.3 InChI Key
    QMQIQBOGXYYATH-IDABPMKMSA-N
    2.1.4 Canonical SMILES
    CC1CCC2(C(C3C(O2)CC4C3(CCC5C4CC=C6C5(C(CC(C6)O)O)C)C)C)OC1
    2.1.5 Isomeric SMILES
    C[C@@H]1CC[C@@]2([C@H]([C@H]3[C@@H](O2)C[C@@H]4[C@@]3(CC[C@H]5[C@H]4CC=C6[C@@]5([C@@H](C[C@@H](C6)O)O)C)C)C)OC1
    2.2 Other Identifiers
    2.2.1 UNII
    BXI92R2VUJ
    2.3 Synonyms
    2.3.1 MeSH Synonyms

    1. Ruscogenin, (1beta,3alpha,25r)-isomer

    2. Ruscogenin, (1beta,3alpha,25s)-isomer

    3. Ruscorectal

    2.3.2 Depositor-Supplied Synonyms

    1. 472-11-7

    2. Bxi92r2vuj

    3. Chebi:8913

    4. Spirost-5-ene-1,3-diol, (1b,3b,25r)-

    5. (1beta,3beta,25r)-spirost-5-ene-1,3-diol

    6. (25r)-spirost-5-en-1beta,3beta-diol

    7. Unii-bxi92r2vuj

    8. Ruscogenins

    9. Ruscorectal (tn)

    10. Einecs 207-447-2

    11. (25r)-spirost-5-ene-1beta,3beta-diol

    12. Ruscogenin [inci]

    13. Ruscogenin [mart.]

    14. Ruscogenin [who-dd]

    15. Schembl147884

    16. Spirost-5-ene-1,3-diol, (1.beta.,3.beta.,25r)-

    17. Chembl1169820

    18. Ruscogenin, >=98% (hplc)

    19. Dtxsid401019319

    20. Hy-n0496

    21. Zinc8234225

    22. Lmst01080038

    23. Mfcd00210550

    24. Ccg-269015

    25. Ac-34398

    26. Cs-0009017

    27. N2405

    28. S9183

    29. C08909

    30. D08498

    31. Q-201689

    32. (25r)-spirost-5-ene-1.beta.,3.beta.-diol

    33. Q27108184

    34. Spirost-5-ene-1.beta.,3.beta.-diol, (25r)-

    35. (1s,2s,4s,5'r,6r,7s,8r,9s,12s,13r,14r,16r)-5',7,9,13-tetramethylspiro[5-oxapentacyclo[10.8.0.02,9.04,8.013,18]icos-18-ene-6,2'-oxane]-14,16-diol

    2.4 Create Date
    2005-06-24
    3 Chemical and Physical Properties
    Molecular Weight 430.6 g/mol
    Molecular Formula C27H42O4
    XLogP34.7
    Hydrogen Bond Donor Count2
    Hydrogen Bond Acceptor Count4
    Rotatable Bond Count0
    Exact Mass430.30830982 g/mol
    Monoisotopic Mass430.30830982 g/mol
    Topological Polar Surface Area58.9 Ų
    Heavy Atom Count31
    Formal Charge0
    Complexity779
    Isotope Atom Count0
    Defined Atom Stereocenter Count12
    Undefined Atom Stereocenter Count0
    Defined Bond Stereocenter Count0
    Undefined Bond Stereocenter Count0
    Covalently Bonded Unit Count1