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    Endrysone

    ACTIVE PHARMA INGREDIENTS

    PharmaCompass
    Xls

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    2D Structure
    Also known as: Endrysone, 35100-44-8, Endrysone [usan], Endrisone [inn], 1qz096eief, (6s,8s,9s,10r,11s,13s,14s,17s)-17-acetyl-11-hydroxy-6,10,13-trimethyl-6,7,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthren-3-one
    Molecular Formula
    C22H30O3
    Molecular Weight
    342.5  g/mol
    InChI Key
    VDNZZIYSCXESNI-ILSZZQPISA-N
    FDA UNII
    1QZ096EIEF
    1 2D Structure

    2D Structure

    2 Identification
    2.1 Computed Descriptors
    2.1.1 IUPAC Name
    (6S,8S,9S,10R,11S,13S,14S,17S)-17-acetyl-11-hydroxy-6,10,13-trimethyl-6,7,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthren-3-one
    2.1.2 InChI
    InChI=1S/C22H30O3/c1-12-9-15-17-6-5-16(13(2)23)22(17,4)11-19(25)20(15)21(3)8-7-14(24)10-18(12)21/h7-8,10,12,15-17,19-20,25H,5-6,9,11H2,1-4H3/t12-,15-,16+,17-,19-,20+,21-,22+/m0/s1
    2.1.3 InChI Key
    VDNZZIYSCXESNI-ILSZZQPISA-N
    2.1.4 Canonical SMILES
    CC1CC2C3CCC(C3(CC(C2C4(C1=CC(=O)C=C4)C)O)C)C(=O)C
    2.1.5 Isomeric SMILES
    C[C@H]1C[C@H]2[C@@H]3CC[C@@H]([C@]3(C[C@@H]([C@@H]2[C@@]4(C1=CC(=O)C=C4)C)O)C)C(=O)C
    2.2 Other Identifiers
    2.2.1 UNII
    1QZ096EIEF
    2.3 Synonyms
    2.3.1 Depositor-Supplied Synonyms

    1. Endrysone

    2. 35100-44-8

    3. Endrysone [usan]

    4. Endrisone [inn]

    5. 1qz096eief

    6. (6s,8s,9s,10r,11s,13s,14s,17s)-17-acetyl-11-hydroxy-6,10,13-trimethyl-6,7,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthren-3-one

    7. Endrisona

    8. Endrisonum

    9. Endrisona [spanish]

    10. Endrisonum [inn-latin]

    11. Endrisona [inn-spanish]

    12. Unii-1qz096eief

    13. Aldrisone

    14. Einecs 252-362-6

    15. Endrysone (usan/inn)

    16. Endrisone [mart.]

    17. Schembl43713

    18. Chembl2104631

    19. 11beta-hydroxy-6alpha-methylpregna-1,4-diene-3,20-dione

    20. Dtxsid401043364

    21. Zinc4213110

    22. Pregna-1,4-diene-3,20-dione, 11-hydroxy-6-methyl-, (6.alpha.,11.beta.)-

    23. D03995

    24. Q27252771

    25. 11.beta.-hydroxy-6.alpha.-methylpregna-1,4-diene-3,20-dione

    26. Pregna-1,4-diene-3,20-dione, 11-hydroxy-6-methyl-, (6alpha,11beta)-

    2.4 Create Date
    2005-08-08
    3 Chemical and Physical Properties
    Molecular Weight 342.5 g/mol
    Molecular Formula C22H30O3
    XLogP32.9
    Hydrogen Bond Donor Count1
    Hydrogen Bond Acceptor Count3
    Rotatable Bond Count1
    Exact Mass342.21949481 g/mol
    Monoisotopic Mass342.21949481 g/mol
    Topological Polar Surface Area54.4 Ų
    Heavy Atom Count25
    Formal Charge0
    Complexity689
    Isotope Atom Count0
    Defined Atom Stereocenter Count8
    Undefined Atom Stereocenter Count0
    Defined Bond Stereocenter Count0
    Undefined Bond Stereocenter Count0
    Covalently Bonded Unit Count1