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    Technical details about CAS 142203-65-4, learn more about the structure, uses, toxicity, action, side effects and more

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    CAS 142203-65-4

    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: 142203-65-4, 13-acetyl-9-dihydrobaccatin iii, 7,9-dideacetyl baccatin vi, 13-acetyl-9-dihydrobaccatin-iii, Ddabvi, 7,11-methano-1h-cyclodeca[3,4]benz[1,2-b]oxete-4,5,6,9,11,12,12b-heptol, 2a,3,4,4a,5,6,9,10,12,12a-decahydro-4a,8,13,13-tetramethyl-, 6,9,12b-triacetate 12-benzoate, (2ar,4s,4as,5r,6r,9s,11s,12s,12ar,12bs)-
    Molecular Formula
    C33H42O12
    Molecular Weight
    630.7  g/mol
    InChI Key
    WPPPFZJNKLMYBW-FAEUQDRCSA-N
    1 2D Structure

    2D Structure

    2 Identification
    2.1 Computed Descriptors
    2.1.1 IUPAC Name
    [(1S,2S,3R,4S,7R,9S,10S,11R,12R,15S)-4,12,15-triacetyloxy-1,9,11-trihydroxy-10,14,17,17-tetramethyl-6-oxatetracyclo[11.3.1.03,10.04,7]heptadec-13-en-2-yl] benzoate
    2.1.2 InChI
    InChI=1S/C33H42O12/c1-16-21(42-17(2)34)14-33(40)28(44-29(39)20-11-9-8-10-12-20)26-31(7,22(37)13-23-32(26,15-41-23)45-19(4)36)27(38)25(43-18(3)35)24(16)30(33,5)6/h8-12,21-23,25-28,37-38,40H,13-15H2,1-7H3/t21-,22-,23+,25+,26-,27-,28-,31+,32-,33+/m0/s1
    2.1.3 InChI Key
    WPPPFZJNKLMYBW-FAEUQDRCSA-N
    2.1.4 Canonical SMILES
    CC1=C2C(C(C3(C(CC4C(C3C(C(C2(C)C)(CC1OC(=O)C)O)OC(=O)C5=CC=CC=C5)(CO4)OC(=O)C)O)C)O)OC(=O)C
    2.1.5 Isomeric SMILES
    CC1=C2[C@H]([C@@H]([C@@]3([C@H](C[C@@H]4[C@]([C@H]3[C@@H]([C@@](C2(C)C)(C[C@@H]1OC(=O)C)O)OC(=O)C5=CC=CC=C5)(CO4)OC(=O)C)O)C)O)OC(=O)C
    2.2 Synonyms
    2.2.1 MeSH Synonyms

    1. 7,9-dideacetyl Baccatin Vi

    2. 7,9-dideacetylbaccatin Vi

    3. Ddabvi

    2.2.2 Depositor-Supplied Synonyms

    1. 142203-65-4

    2. 13-acetyl-9-dihydrobaccatin Iii

    3. 7,9-dideacetyl Baccatin Vi

    4. 13-acetyl-9-dihydrobaccatin-iii

    5. Ddabvi

    6. 7,11-methano-1h-cyclodeca[3,4]benz[1,2-b]oxete-4,5,6,9,11,12,12b-heptol, 2a,3,4,4a,5,6,9,10,12,12a-decahydro-4a,8,13,13-tetramethyl-, 6,9,12b-triacetate 12-benzoate, (2ar,4s,4as,5r,6r,9s,11s,12s,12ar,12bs)-

    7. 7,9-dideacetylbaccatin Vi

    8. 9-dhab Iii

    9. Chembl75533

    10. Schembl12650493

    11. Dtxsid60931386

    12. Zinc26400996

    13. Akos030526095

    14. Cs-1097

    15. Ac-35027

    16. As-75339

    17. Hy-77434

    18. 4,10,13-tris(acetyloxy)-1,7,9-trihydroxy-5,20-epoxytax-11-en-2-yl Benzoate

    19. (1s,2s,3r,4s,7r,9s,10s,11r,12r,15s)-4,12,15-tris(acetyloxy)-1,9,11-trihydroxy-10,14,17,17-tetramethyl-6-oxatetracyclo[11.3.1.0(3),(1)?.0?,?]heptadec-13-en-2-yl Benzoate

    20. (2ar,4s,4as,5r,6r,9s,11s,12s,12ar,12bs)-2a,3,4,4a,5,6,9,10,12,12a-decahydro-4a,8,13,13-tetramethyl-7,11-methano-1h-cyclodeca[3,4]benz[1,2-b]oxete-4,5,6,9,11,12,12b-heptol 6,9,12b-triacetate 12-benzoat

    21. 7,11-methano-1h-cyclodeca(3,4)benz(1,2-b)oxete-4,5,6,9,11,12,12b-heptol, 2a,3,4,4a,5,6,9,10,12,12a-decahydro-4a,8,13,13-tetramethyl-, 6,9,12b-triacetate 12-benzoate, (2ar-(2aalpha,4beta,4abeta,5alpha,6beta,9alpha,11alpha,12alpha,12aalph,12balpha))-

    2.3 Create Date
    2005-08-09
    3 Chemical and Physical Properties
    Molecular Weight 630.7 g/mol
    Molecular Formula C33H42O12
    XLogP31.5
    Hydrogen Bond Donor Count3
    Hydrogen Bond Acceptor Count12
    Rotatable Bond Count9
    Exact Mass630.26762677 g/mol
    Monoisotopic Mass630.26762677 g/mol
    Topological Polar Surface Area175 Ų
    Heavy Atom Count45
    Formal Charge0
    Complexity1270
    Isotope Atom Count0
    Defined Atom Stereocenter Count10
    Undefined Atom Stereocenter Count0
    Defined Bond Stereocenter Count0
    Undefined Bond Stereocenter Count0
    Covalently Bonded Unit Count1
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