Please Wait
Applying Filters...
menu
    • menu
    European CDMO and Gx manufacturer with 75 years of experience in delivering premium APIs to pharmaceutical partners worldwide.

    Virtual Booth

    Contact Supplier

    Minakem delivers API, HPAPI, steroids & CDMO services for generics with FDA/GMP certification, regulatory know-how & proven success.

    Virtual Booth

    Contact Supplier

    USP reference standards; highly characterized specimens of drug substances, impurities, excipients, degradation products & more.

    Virtual Booth

    Contact Supplier

    ChemWerth works in generic API development & supply, non-infringement patent strategy development and regulatory support.

    Virtual Booth

    Contact Supplier

    Seqens is an integrated global leader in pharmaceutical solutions & specialty ingredients, & custom-made solutions to our customers.

    Virtual Booth

    Contact Supplier

    Guizhou Utide Biotechnology Co., Ltd. - Specialized GMP manufacturing for next-generation GLP-1 peptide APIs.

    Virtual Booth

    Contact Supplier

    Menu

    CAS 7093-55-2

    PharmaCompass
    Xls

    Filters

    clear-filterReset all filters
    2D Structure
    Also known as: Dtxsid001177711, Dispiro[1,3-dioxolane-2,3'-pregnane-20',2''-[1,3]dioxolane]-5'-ene
    Molecular Formula
    C25H38O4
    Molecular Weight
    402.6  g/mol
    InChI Key
    HXAKLOQIIUGBBR-LLINQDLYSA-N
    1 2D Structure

    2D Structure

    2 Identification
    2.1 Computed Descriptors
    2.1.1 IUPAC Name
    (8S,9S,10R,13S,14S,17S)-10,13-dimethyl-17-(2-methyl-1,3-dioxolan-2-yl)spiro[1,2,4,7,8,9,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthrene-3,2'-1,3-dioxolane]
    2.1.2 InChI
    InChI=1S/C25H38O4/c1-22-10-11-25(28-14-15-29-25)16-17(22)4-5-18-19-6-7-21(24(3)26-12-13-27-24)23(19,2)9-8-20(18)22/h4,18-21H,5-16H2,1-3H3/t18-,19-,20-,21-,22-,23-/m0/s1
    2.1.3 InChI Key
    HXAKLOQIIUGBBR-LLINQDLYSA-N
    2.1.4 Canonical SMILES
    CC12CCC3C(C1CCC2C4(OCCO4)C)CC=C5C3(CCC6(C5)OCCO6)C
    2.1.5 Isomeric SMILES
    C[C@]12CC[C@H]3[C@H]([C@@H]1CC[C@@H]2C4(OCCO4)C)CC=C5[C@@]3(CCC6(C5)OCCO6)C
    2.2 Synonyms
    2.2.1 Depositor-Supplied Synonyms

    1. Dtxsid001177711

    2. Dispiro[1,3-dioxolane-2,3'-pregnane-20',2''-[1,3]dioxolane]-5'-ene

    2.3 Create Date
    2007-02-07
    3 Chemical and Physical Properties
    Molecular Weight 402.6 g/mol
    Molecular Formula C25H38O4
    XLogP34.5
    Hydrogen Bond Donor Count0
    Hydrogen Bond Acceptor Count4
    Rotatable Bond Count1
    Exact Mass402.27700969 g/mol
    Monoisotopic Mass402.27700969 g/mol
    Topological Polar Surface Area36.9 Ų
    Heavy Atom Count29
    Formal Charge0
    Complexity704
    Isotope Atom Count0
    Defined Atom Stereocenter Count6
    Undefined Atom Stereocenter Count0
    Defined Bond Stereocenter Count0
    Undefined Bond Stereocenter Count0
    Covalently Bonded Unit Count1
    • Privacy policy
    • Terms and conditions
    • Disclaimers
    • LinkedIn
    • Product listings are provided for informational purposes only. We do not supply or sell any products. Any products that may be covered by patent(s) are supplied solely for uses permitted under Section 107A of the Indian Patents Act and not for commercial sale.