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CAS 92950-42-0

:

(2aR,4S,4aS,6R,11S,12S,12aR,12bS)-12b-(Acetyloxy)-12-(benzoyloxy)-2a,4,4a,10,11,12,12a,12b-octahydro-4,6,11-trihydroxy-4a,8,13,13-tetramethyl-7,11-methano-1H-cyclodeca[3,4]benz[1,2-b]oxete-5,9(3H,6H)-dione

Description:
The chemical substance with the name "(2aR,4S,4aS,6R,11S,12S,12aR,12bS)-12b-(Acetyloxy)-12-(benzoyloxy)-2a,4,4a,10,11,12,12a,12b-octahydro-4,6,11-trihydroxy-4a,8,13,13-tetramethyl-7,11-methano-1H-cyclodeca[3,4]benz[1,2-b]oxete-5,9(3H,6H)-dione" and CAS number "92950-42-0" is a complex organic compound characterized by multiple stereocenters, indicating significant chirality. This compound features a bicyclic structure, which includes a cyclodecane framework fused with a benzene moiety, contributing to its rigidity and potential biological activity. The presence of multiple hydroxyl groups suggests it may exhibit hydrogen bonding capabilities, influencing its solubility and reactivity. The acetyloxy and benzoyloxy substituents indicate potential for esterification reactions, while the overall structure may suggest applications in pharmaceuticals or as a natural product derivative. Its intricate stereochemistry and functional groups may also play a role in its interaction with biological systems, making it a subject of interest in medicinal chemistry and drug design.
Formula:C29H34O10
InChI:InChI=1S/C29H34O10/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/h6-10,18-19,21-22,24,32-33,36H,11-13H2,1-5H3/t18-,19+,21+,22-,24-,27+,28-,29+/m0/s1
InChI key:InChIKey=WMZBAMYUOYXRSF-RIFKXWPOSA-N
SMILES:O(C(C)=O)[C@]12[C@]3([C@H](OC(=O)C4=CC=CC=C4)[C@@]5(O)C(C)(C)C([C@@H](O)C(=O)[C@]3(C)[C@@H](O)C[C@]1(OC2)[H])=C(C)C(=O)C5)[H]
Synonyms:
  • 7,11-Methano-1H-cyclodeca[3,4]benz[1,2-b]oxete-5,9(3H,6H)-dione, 12b-(acetyloxy)-12-(benzoyloxy)-2a,4,4a,10,11,12,12a,12b-octahydro-4,6,11-trihydroxy-4a,8,13,13-tetramethyl-, [2aR-(2aα,4β,4aβ,6β,11α,12α,12aα,12bα)]-
  • (2aR,4S,4aS,6R,11S,12S,12aR,12bS)-12b-(Acetyloxy)-12-(benzoyloxy)-2a,4,4a,10,11,12,12a,12b-octahydro-4,6,11-trihydroxy-4a,8,13,13-tetramethyl-7,11-methano-1H-cyclodeca[3,4]benz[1,2-b]oxete-5,9(3H,6H)-dione
  • 7,11-Methano-1H-cyclodeca[3,4]benz[1,2-b]oxete-5,9(3H,6H)-dione, 12b-(acetyloxy)-12-(benzoyloxy)-2a,4,4a,10,11,12,12a,12b-octahydro-4,6,11-trihydroxy-4a,8,13,13-tetramethyl-, (2aR,4S,4aS,6R,11S,12S,12aR,12bS)-
  • 10-Deacetyl-13-oxobaccatin III
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Found 3 products.
  • 10-Deacetyl-13-Oxo-Baccatin III
    TLC
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    10-Deacetyl-13-Oxo-Baccatin III

    CAS:
    Formula:C29H34O10
    Molecular weight:542.59

    Ref: 4Z-C-11909

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  • 13-Oxo-10-deacetyl Baccatin III
    TRC
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    13-Oxo-10-deacetyl Baccatin III

    Controlled Product
    CAS:
    <p>Applications 13-Oxo-10-deacetyl Baccatin III is a novel stable derivative of 10-Deacetylbaccatin III (D198250) with antitumor and antimitotic activity.<br>References Appendino, G., et al.: Gazzetta Chimica Italiana, 124, 253 (1994),<br></p>
    Formula:C29H34O10
    Color and Shape:Neat
    Molecular weight:542.57

    Ref: TR-O850110

    5mg
    243.00€
    50mg
    1,637.00€
  • 13-Oxo-10-Deacetyl Baccatin III
    Standalix
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    13-Oxo-10-Deacetyl Baccatin III

    CAS:
    Formula:C29H34O10
    Molecular weight:542.58

    Ref: ST-EA-CP-P36069

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