Cas no 92950-45-3 (Docetaxel Impurity 19)

Docetaxel Impurity 19 structure
Docetaxel Impurity 19 structure
Product Name:Docetaxel Impurity 19
CAS No:92950-45-3
MF:C29H34O10
MW:542.574269771576
CID:4557604
Update Time:2024-03-01

Docetaxel Impurity 19 Chemical and Physical Properties

Names and Identifiers

    • 10-OXO-10-DABⅢ
    • 10-Oxo-Deacetyl Bacatin III
    • Docetaxel Impurity 21
    • 10-Oxo-Deacetyl Bacatin I
    • 7,11-Methano-1H-cyclodeca[3,4]benz[1,2-b]oxete-5,6-dione, 12b-(acetyloxy)-12-(benzoyloxy)-2a,3,4,4a,9,10,11,12,12a,12b-decahydro-4,9,11-trihydroxy-4a,8,13,13-tetramethyl-, (2aR,4S,4aS,9S,11S,12S,12aR,12bS)-
    • (2aR,4S,4aS,9S,11S,12S,12aR,12bS)-12b-acetoxy-4,9,11-trihydroxy-4a,8,13,13-tetramethyl-5,6-dioxo-2a,3,4,4a,5,6,9,10,11,12,12a,12b-dodecahydro-1H-7,11-methanocyclodeca[3,4]benzo[1,2-b]oxet-12-yl benzoate
    • 10-Deacetyl-10-oxobaccatin III
    • Docetaxel Impurity 19
    • 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/h6-10,17-19,22,24,31-32,36H,11-13H2,1-5H3/t17-,18-,19+,22-,24-,27+,28-,29+/m0/s1
    • InChI Key: UEDMLPVUDFCAQM-AIAPYDQCSA-N
    • SMILES: O1C[C@@]2(OC(C)=O)[C@@]3([H])[C@H](OC(=O)C4=CC=CC=C4)[C@@]4(O)C(C)(C)C(=C(C)[C@@H](O)C4)C(=O)C(=O)[C@]3(C)[C@@H](O)C[C@@]12[H]

Computed Properties

  • Hydrogen Bond Donor Count: 3
  • Hydrogen Bond Acceptor Count: 10
  • Heavy Atom Count: 39
  • XLogP3: -0.478999999999999

Docetaxel Impurity 19 Production Method

Production Method 1

Reaction Conditions
1.1 Reagents: m-Chloroperbenzoic acid Solvents: Dichloromethane ;  overnight, rt
Reference
Modification of taxane A ring via maneuvering of the C-11 double bond of 10-deacetylbaccatin III to get novel rearranged taxoids
Chakraborty, Vaishali; Bordoloi, Manobjyoti, Letters in Organic Chemistry, 2008, 5(8), 687-691

Docetaxel Impurity 19 Raw materials

Docetaxel Impurity 19 Preparation Products

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