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CAS 142203-65-4

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9-dihydro-13-acetylbaccatin iii

Description:
9-Dihydro-13-acetylbaccatin III is a chemical compound derived from the natural product baccatin III, which is a precursor in the synthesis of the anticancer drug paclitaxel (Taxol). This compound is characterized by its complex molecular structure, which includes multiple rings and functional groups that contribute to its biological activity. It features an acetyl group at the C-13 position and a reduced double bond at the C-9 position, which distinguishes it from its parent compound. The substance is known for its potential pharmacological properties, particularly in the field of oncology, where it may exhibit cytotoxic effects against various cancer cell lines. Its solubility and stability in different solvents can vary, influencing its application in drug formulation. Additionally, the compound's synthesis and modification are of interest in medicinal chemistry, as researchers explore ways to enhance its therapeutic efficacy and reduce side effects. Overall, 9-dihydro-13-acetylbaccatin III represents a significant compound in the study of taxane derivatives and their role in cancer treatment.
Formula:C33H42O12
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
InChI key:InChIKey=WPPPFZJNKLMYBW-FAEUQDRCSA-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](OC(C)=O)[C@H](O)[C@]3(C)[C@@H](O)C[C@]1(OC2)[H])=C(C)[C@@H](OC(C)=O)C5)[H]
Synonyms:
  • (2Alpha,5Beta,7Beta,9Alpha,10Beta,13Alpha)-4,10,13-Tris(Acetyloxy)-1,7,9-Trihydroxy-5,20-Epoxytax-11-En-2-Yl Benzoate
  • 13-Acetyl-9-Dihydrobaccatin Iii
  • 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))-
  • 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)-
  • 7,11-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-(2aα,4β,4aβ,5α,6β,9α,11α,12α,12aα,12bα)]-
  • 7,9-Dideacetyl baccatin VI
  • 7,9-Dideacetylbaccatin VI
  • Ddabvi
  • Di-O-deacetylbaccatin VI
  • 9-Dihydro-13-acetylbaccatin III
  • See more synonyms
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