loader
Please Wait
Applying Filters...

Euroapi Company Header Euroapi Company Header

X
menu

    Market Place

    Market Place

    Post Enquiry

    Post Enquiry
    menu

    Technical details about CAS 92999-93-4, learn more about the structure, uses, toxicity, action, side effects and more

    Client Email Product
    Menu

    CAS 92999-93-4

    Manufacturers/Suppliers

    PharmaCompass

    Farmhispania Group, a leading European CDMO in HPAPI Technologies & High Potency Fermentation.

    One Pharma aims to be one of the leading generic companies in Europe.

    2D Structure
    1. Also known as: 10-desacetylbaccatin iii, Mls001097700, Chembl1565880, Schembl11926902, Hms2270k09, 32981-86-5
    Molecular Formula
    C29H36O10
    Molecular Weight
    544.6  g/mol
    InChI Key
    YWLXLRUDGLRYDR-SKXCCXORSA-N
    1 2D Structure

    2D Structure

    2 Identification
    2.1 Computed Descriptors
    2.1.1 IUPAC Name
    [(1S,2S,4S,7R,9S,10S,12R,15S)-4-acetyloxy-1,9,12,15-tetrahydroxy-10,14,17,17-tetramethyl-11-oxo-6-oxatetracyclo[11.3.1.03,10.04,7]heptadec-13-en-2-yl] benzoate
    2.1.2 InChI
    InChI=1S/C29H36O10/c1-14-17(31)12-29(36)24(38-25(35)16-9-7-6-8-10-16)22-27(5,23(34)21(33)20(14)26(29,3)4)18(32)11-19-28(22,13-37-19)39-15(2)30/h6-10,17-19,21-22,24,31-33,36H,11-13H2,1-5H3/t17-,18-,19+,21+,22?,24-,27+,28-,29+/m0/s1
    2.1.3 InChI Key
    YWLXLRUDGLRYDR-SKXCCXORSA-N
    2.1.4 Canonical SMILES
    CC1=C2C(C(=O)C3(C(CC4C(C3C(C(C2(C)C)(CC1O)O)OC(=O)C5=CC=CC=C5)(CO4)OC(=O)C)O)C)O
    2.1.5 Isomeric SMILES
    CC1=C2[C@H](C(=O)[C@@]3([C@H](C[C@@H]4[C@](C3[C@@H]([C@@](C2(C)C)(C[C@@H]1O)O)OC(=O)C5=CC=CC=C5)(CO4)OC(=O)C)O)C)O
    2.2 Synonyms
    2.2.1 Depositor-Supplied Synonyms

    1. 10-desacetylbaccatin Iii

    2. Mls001097700

    3. Chembl1565880

    4. Schembl11926902

    5. Hms2270k09

    6. 32981-86-5

    7. Ncgc00247428-01

    8. Smr000578098

    2.3 Create Date
    2006-10-26
    3 Chemical and Physical Properties
    Molecular Weight 544.6 g/mol
    Molecular Formula C29H36O10
    XLogP30.6
    Hydrogen Bond Donor Count4
    Hydrogen Bond Acceptor Count10
    Rotatable Bond Count5
    Exact Mass544.23084734 g/mol
    Monoisotopic Mass544.23084734 g/mol
    Topological Polar Surface Area160 Ų
    Heavy Atom Count39
    Formal Charge0
    Complexity1090
    Isotope Atom Count0
    Defined Atom Stereocenter Count8
    Undefined Atom Stereocenter Count1
    Defined Bond Stereocenter Count0
    Undefined Bond Stereocenter Count0
    Covalently Bonded Unit Count1
    Post Enquiry
    POST ENQUIRY