Chemical Compound

(|AR,|AS)-|A-[[(1,1-Dimethylethoxy)carbonyl]amino]-|A-hydroxybenzenepropanoic Acid (2aR,4S,4aS,9S,11S,12S,12aR,12bS)-12b-(Acetyloxy)-12-(benzoyloxy)-2a,3,4,4a,5,6,9,10,11,12,12a,12b-dodecahydro-4,11-dihydroxy-4a,8,13,13-tetramethyl-5,6-dioxo-7,11-methano-1H-cyclodeca[3,4]benz[1,2-b]oxet-9-yl Ester

CAS Registry Number 167074-97-7
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(|AR,|AS)-|A-[[(1,1-Dimethylethoxy)carbonyl]amino]-|A-hydroxybenzenepropanoic Acid (2aR,4S,4aS,9S,11S,12S,12aR,12bS)-12b-(Acetyloxy)-12-(benzoyloxy)-2a,3,4,4a,5,6,9,10,11,12,12a,12b-dodecahydro-4,11-dihydroxy-4a,8,13,13-tetramethyl-5,6-dioxo-7,11-methano-1H-cyclodeca[3,4]benz[1,2-b]oxet-9-yl Ester 结构式
Primary record

(|AR,|AS)-|A-[[(1,1-Dimethylethoxy)carbonyl]amino]-|A-hydroxybenzenepropanoic Acid (2aR,4S,4aS,9S,11S,12S,12aR,12bS)-12b-(Acetyloxy)-12-(benzoyloxy)-2a,3,4,4a,5,6,9,10,11,12,12a,12b-dodecahydro-4,11-dihydroxy-4a,8,13,13-tetramethyl-5,6-dioxo-7,11-methano-1H-cyclodeca[3,4]benz[1,2-b]oxet-9-yl Ester

库存
6,254 克
纯度
99.7 %
CAS
167074-97-7

化合物标识与属性

CAS
167074-97-7
PubChem CID
15200439
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]1OC(=O)[C@@H]([C@H](C5=CC=CC=C5)NC(=O)OC(C)(C)C)O)O)OC(=O)C6=CC=CC=C6)(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](OC(=O)[C@H](O)[C@@H](NC(=O)OC(C)(C)C)c4ccccc4)C[C@@](O)([C@@H](OC(=O)c4ccccc4)[C@H]21)C3(C)C

名称与同义词

  • 10-Oxo Docetaxel
  • 6-Oxodocetaxel
  • Docetaxel Impurity B
  • 10-Deoxy-10-oxodocetaxel
  • Docetaxel Impurity
  • UNII-VB305F5FMZ
  • 167074-97-7
  • Docetaxel EP Impurity B
  • VB305F5FMZ
  • Docetaxel Impurity 1
  • Docetaxel Impurity 80
  • RefChem:105209
  • 6-Oxo Docetaxel (USP)
  • Docetaxel trihydrate impurity B [EP]
  • DTXSID50168225
  • Docetaxel trihydrate impurity B
  • C43H51NO14
  • orb1679039
  • DTXCID4090716
  • SCHEMBL12127074
  • 7-EPI-10-OXO-DOCETAXEL
  • Docetaxel trihydrate specified impurity B [EP]
  • 3045AH
  • ZINC94313197
  • Docetaxel Impurity B (10-Oxo Docetaxel)
  • CS-3192
  • FO26648
  • Docetaxel trihydrate specified impurity B
  • HY-16674
  • MS-31487
  • B4696
  • DOCETAXEL TRIHYDRATE IMPURITY B [EP IMPURITY]
  • A899392
  • DOCETAXEL TRIHYDRATE IMPURITY B (EP IMPURITY)
  • Q27291739
  • [(1S,2S,3R,4S,7R,9S,10S,15S)-4-acetyloxy-1,9-dihydroxy-15-[(2R,3S)-2-hydroxy-3-[(2-methylpropan-2-yl)oxycarbonylamino]-3-phenylpropanoyl]oxy-10,14,17,17-tetramethyl-11,12-dioxo-6-oxatetracyclo[11.3.1.03,10.04,7]heptadec-13-en-2-yl] benzoate
  • 5beta,20-Epoxy-1,7beta-dihydroxy-9,10-dioxotax-11-ene-2alpha,4,13alpha-triyl 4-acetate 2-benzoate 13-((2R,3S)-3-(((1,1-dimethylethoxy)carbonyl)amino)-2-hydroxy-3-phenylpropanoate)
  • (|AR,|AS)-|A-[[(1,1-Dimethylethoxy)carbonyl]amino]-|A-hydroxybenzenepropanoic Acid (2aR,4S,4aS,9S,11S,12S,12aR,12bS)-12b-(Acetyloxy)-12-(benzoyloxy)-2a,3,4,4a,5,6,9,10,11,12,12a,12b-dodecahydro-4,11-dihydroxy-4a,8,13,13-tetramethyl-5,6-dioxo-7,11-methano-1H-cyclodeca[3,4]benz[1,2-b]oxet-9-yl Ester
  • 5.BETA.,20-EPOXY-1,7.BETA.-DIHYDROXY-9,10-DIOXOTAX-11-ENE-2.ALPHA.,4,13.ALPHA.-TRIYL 4-ACETATE 2-BENZOATE 13-((2R,3S)-3-(((1,1-DIMETHYLETHOXY)CARBONYL)AMINO)-2-HYDROXY-3-PHENYLPROPANOATE)
  • (2aR,4S,4aS,9S,11S,12S,12aR,12bS)-12b-(Acetyloxy)-12-(benzoyloxy)-2a,3,4,4a,5,6,9,10,11,12,12a,12b-dodecahydro-4,11-dihydroxy-4a,8,13,13-tetramethyl-5,6-dioxo-7,11-methano-1H-cyclodeca[3,4]benz[1,2-b]oxet-9-yl (|_R,|_S)-|_-[[(1,1-dimethylethoxy)carbonyl]amino]-|_-hydroxybenzenepropanoate
  • (2aR,4S,4aS,9S,11S,12S,12aR,12bS)-12b-acetoxy-9-(((2R,3S)-3-((tert-butoxycarbonyl)amino)-2-hydroxy-3-phenylpropanoyl)oxy)-4,11-dihydroxy-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
  • (aR,bS)-b-[[(1,1-Dimethylethoxy)carbonyl]amino]-a-hydroxybenzenepropanoic Acid (2aR,4S,4aS,9S,11S,12S,12aR,12bS)-12b-(Acetyloxy)-12- (benzoyloxy)-2a,3,4,4a,5,6,9,10,11,12,12a,12b-dodecahydro-4,11-dihydroxy-4a,8,13,13-tetramethyl-5,6-dioxo-7,11-methano
  • [(1S,2S,3R,4S,7R,9S,10S,15S)-4-acetoxy-15-[(2R,3S)-3-(tert-butoxycarbonylamino)-2-hydroxy-3-phenyl-propanoyl]oxy-1,9-dihydroxy-10,14,17,17-tetramethyl-11,12-dioxo-6-oxatetracyclo[11.3.1.03,10.04,7]heptadec-13-en-2-yl] benzoate
  • 162784-72-7
  • 4-(Acetyloxy)-13alpha-({(2R,3S)-3-[(tert-butoxycarbonyl)amino]-2-hydroxy-3-phenylpropanoyl}oxy)-1,7beta-dihydroxy-9,10-dioxo-4alpha,5beta-5,20-epoxytax-11-en-2alpha-yl benzoate