Chemical Compound

(2aR,4R,4aS,9S,11S,12S,12aR,12bS)-12b-(Acetyloxy)-12-(benzoyloxy)-2a,3,4,4a,9,10,11,12,12a,12b-decahydro-4,9,11-trihydroxy-4a,8,13,13-tetramethyl-7,11-methano-1H-cyclodeca[3,4]benz[1,2-b]oxete-5,6-dione; 10-Deacetyl-10-oxo-baccatin V; 10-Dehydrobaccatin V; Docetaxel Impurity 20

CAS Registry Number 151636-94-1
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(2aR,4R,4aS,9S,11S,12S,12aR,12bS)-12b-(Acetyloxy)-12-(benzoyloxy)-2a,3,4,4a,9,10,11,12,12a,12b-decahydro-4,9,11-trihydroxy-4a,8,13,13-tetramethyl-7,11-methano-1H-cyclodeca[3,4]benz[1,2-b]oxete-5,6-dione; 10-Deacetyl-10-oxo-baccatin V; 10-Dehydrobaccatin V; Docetaxel Impurity 20 结构式
Primary record

(2aR,4R,4aS,9S,11S,12S,12aR,12bS)-12b-(Acetyloxy)-12-(benzoyloxy)-2a,3,4,4a,9,10,11,12,12a,12b-decahydro-4,9,11-trihydroxy-4a,8,13,13-tetramethyl-7,11-methano-1H-cyclodeca[3,4]benz[1,2-b]oxete-5,6-dione; 10-Deacetyl-10-oxo-baccatin V; 10-Dehydrobaccatin V; Docetaxel Impurity 20

库存
4,222 克
纯度
99.0 %
CAS
151636-94-1

化合物标识与属性

CAS
151636-94-1
PubChem CID
5316369
SMILES
CC1=C2C(=O)C(=O)[C@@]3([C@@H](C[C@@H]4[C@]([C@H]3[C@@H]([C@@](C2(C)C)(C[C@@H]1O)O)OC(=O)C5=CC=CC=C5)(CO4)OC(=O)C)O)C
Canonical SMILES
CC(=O)O[C@@]12CO[C@@H]1C[C@@H](O)[C@@]1(C)C(=O)C(=O)C3=C(C)[C@@H](O)C[C@@](O)([C@@H](OC(=O)c4ccccc4)[C@H]21)C3(C)C

名称与同义词

  • 10-Dehydrobaccatin V
  • 7-epi-10-Oxo-10-deacetyl Baccatin III
  • Docetaxel Impurity 20
  • Docetaxel Impurity 27
  • Docetaxel Impurity 41
  • 10-Deacetyl-10-oxobaccatin V
  • 151636-94-1
  • CHEMBL250045
  • SCHEMBL13426870
  • 10-Deacetyl-10-oxo-baccatin V
  • DTXSID10415702
  • ZINC28972187
  • CID5316369
  • HY-W778547
  • 7-epi-10-Oxo-10-deacetylbaccatin III
  • DA-70349
  • J702.928D
  • CS-0855306
  • [(1S,2S,3R,4S,7R,9R,10S,15S)-4-acetyloxy-1,9,15-trihydroxy-10,14,17,17-tetramethyl-11,12-dioxo-6-oxatetracyclo[11.3.1.03,10.04,7]heptadec-13-en-2-yl] benzoate
  • (2aR,4R,4aS,9S,11S,12S,12aR,12bS)-12b-(Acetyloxy)-12-(benzoyloxy)-2a,3,4,4a,9,10,11,12,12a,12b-decahydro-4,9,11-trihydroxy-4a,8,13,13-tetramethyl-7,11-methano-1H-cyclodeca[3,4]benz[1,2-b]oxete-5,6-dione
  • (1S,2S,3R,4S,7R,9R,10S,15S)-4-(acetyloxy)-1,9,15-trihydroxy-10,14,17,17-tetramethyl-11,12-dioxo-6-oxatetracyclo[11.3.1.03,10.04,7]heptadec-13-en-2-yl benzoate
  • (2aR)-4beta,9beta,11beta-Trihydroxy-12beta-(benzoyloxy)-12bbeta-acetoxy-4aalpha,8,13,13-tetramethyl-2abeta,3,4,4a,9,10,11,12,12abeta,12b-decahydro-7,11-methano-1H-cyclodeca[3,4]benzo[1,2-b]oxete-5,6-dione
  • (2aR,11S)-12bbeta-Acetoxy-12beta-benzoyloxy-1,2abeta,3,4,4a,6,9,10,11,12,12abeta,12b-dodecahydro-4beta,9beta,11-trihydroxy-4aalpha,8,13,13-tetramethyl-7,11-methano-5H-cyclodeca[3,4]benzo[1,2-b]oxete-5,6-dione
  • (2aR,4R,4aS,9S,11S,12S,12aR,12bS)-12b-(Acetyloxy)-12-(benzoyloxy)-2a,3,4,4a,9,10,11,12,12a,12b-decahydro-4,9,11-trihydroxy-4a,8,13,13-tetramethyl-7,11-methano-1H-cyclodeca[3,4]benz[1,2-b]oxete-5,6-dione; 10-Deacetyl-10-oxo-baccatin V; 10-Dehydrobaccatin V; Docetaxel Impurity 20
  • (2aR,4R,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
  • 1,7alpha,13alpha-Trihydroxy-2alpha-(benzoyloxy)-4-acetoxy-5beta,20-epoxytaxane 11-ene-9,10-dione
  • 1,7alpha,13alpha-Trihydroxy-2alpha-(benzoyloxy)-4alpha-acetoxy-5beta,20-epoxytax-11-ene-9,10-dione
  • 4-(Acetyloxy)-1,7alpha,13alpha-trihydroxy-9,10-dioxo-4alpha,5beta-5,20-epoxytax-11-en-2alpha-yl benzoate