loader
Please Wait
Applying Filters...

AbbVie Contract Manufacturing AbbVie Contract Manufacturing

X
menu

    Market Place

    Market Place

    Post Enquiry

    Post Enquiry
    menu

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

    Client Email Product
    Menu

    Cortienic Acid

    APIs // Active Pharmaceutical Ingredients

    PharmaCompass

    Biopharma Group offers CDMO services with expertise in contract R&D for dried products & liquid formulations.

    Rochem, your partner in developing, sourcing, and supplying pharmaceutical & animal health ingredients of Chinese origin.

    2D Structure
    1. Also known as: 3597-45-3, 81738132xu, (8s,9s,10r,11s,13s,14s,17r)-11,17-dihydroxy-10,13-dimethyl-3-oxo-2,6,7,8,9,11,12,14,15,16-decahydro-1h-cyclopenta[a]phenanthrene-17-carboxylic acid, Cortienicacid, Unii-81738132xu, Schembl1626382
    Molecular Formula
    C20H28O5
    Molecular Weight
    348.4  g/mol
    InChI Key
    XNZSRYSTBKQWGZ-XLXYOEISSA-N
    FDA UNII
    81738132XU
    1 2D Structure

    2D Structure

    2 Identification
    2.1 Computed Descriptors
    2.1.1 IUPAC Name
    (8S,9S,10R,11S,13S,14S,17R)-11,17-dihydroxy-10,13-dimethyl-3-oxo-2,6,7,8,9,11,12,14,15,16-decahydro-1H-cyclopenta[a]phenanthrene-17-carboxylic acid
    2.1.2 InChI
    InChI=1S/C20H28O5/c1-18-7-5-12(21)9-11(18)3-4-13-14-6-8-20(25,17(23)24)19(14,2)10-15(22)16(13)18/h9,13-16,22,25H,3-8,10H2,1-2H3,(H,23,24)/t13-,14-,15-,16+,18-,19-,20-/m0/s1
    2.1.3 InChI Key
    XNZSRYSTBKQWGZ-XLXYOEISSA-N
    2.1.4 Canonical SMILES
    CC12CCC(=O)C=C1CCC3C2C(CC4(C3CCC4(C(=O)O)O)C)O
    2.1.5 Isomeric SMILES
    C[C@]12CCC(=O)C=C1CC[C@@H]3[C@@H]2[C@H](C[C@]4([C@H]3CC[C@@]4(C(=O)O)O)C)O
    2.2 Other Identifiers
    2.2.1 UNII
    81738132XU
    2.3 Synonyms
    2.3.1 MeSH Synonyms

    1. Cortienic Acid, (11alpha,17alpha)-isomer

    2.3.2 Depositor-Supplied Synonyms

    1. 3597-45-3

    2. 81738132xu

    3. (8s,9s,10r,11s,13s,14s,17r)-11,17-dihydroxy-10,13-dimethyl-3-oxo-2,6,7,8,9,11,12,14,15,16-decahydro-1h-cyclopenta[a]phenanthrene-17-carboxylic Acid

    4. Cortienicacid

    5. Unii-81738132xu

    6. Schembl1626382

    7. Q27269221

    8. 11.beta.,17.alpha.-dihydroxy-17.beta.-carboxyandrost-4-en-3-one

    9. 17.beta.-carboxy-11.beta.,17.alpha.-dihydroxy-4-androsten-3-one

    10. 11.beta.,17-dihydroxy-3-oxo-androst-4-ene-17.beta.-carboxylic Acid

    11. 11.beta.,17.alpha.-dihydroxyandrost-4-en-3-one-17.beta.-carboxylic Acid

    12. Androst-4-en-17-carboxylic Acid, 11,17-dihydroxy-3-3-oxo,(11beta,17alpha)

    13. Androst-4-ene-17-carboxylic Acid, 11,17-dihydroxy-3-oxo-, (11.beta.,17.alpha.)-

    14. Androst-4-ene-17.beta.-carboxylic Acid, 11.beta.,17-dihydroxy-3-oxo-

    15. (8s,9s,10r,11s,13s,14s,17r)-11,17-dihydroxy-10,13-dimethyl-3-oxo-2,3,6,7,8,9,10,11,12,13,14,15,16,17-tetradecahydro-1h-cyclopenta[a]phenanthrene-17-carboxylic Acid

    2.4 Create Date
    2006-10-26
    3 Chemical and Physical Properties
    Molecular Weight 348.4 g/mol
    Molecular Formula C20H28O5
    XLogP31.6
    Hydrogen Bond Donor Count3
    Hydrogen Bond Acceptor Count5
    Rotatable Bond Count1
    Exact Mass348.19367399 g/mol
    Monoisotopic Mass348.19367399 g/mol
    Topological Polar Surface Area94.8 Ų
    Heavy Atom Count25
    Formal Charge0
    Complexity669
    Isotope Atom Count0
    Defined Atom Stereocenter Count7
    Undefined Atom Stereocenter Count0
    Defined Bond Stereocenter Count0
    Undefined Bond Stereocenter Count0
    Covalently Bonded Unit Count1
    Post Enquiry
    POST ENQUIRY