Chemical Compound

Benzenepropanoic acid, a-hydroxy-ss-[[(2-hydroxy-1,1-dimethylethoxy)carbonyl]amino]-, (2aR,4S,4aS,6R,9S,11S,12S,12aR,12bS)-12b-(acetyloxy)-12-(benzoyloxy)-2a,3,4,4a,5,6,9,10,11,12,12a,12b-dodecahydro-4,6,11-trihydroxy-4a,8,13,13-tetramethyl-5-oxo-7,11-methano-1H-cyclodeca[3,4]benz[1,2-b]oxet-9-yl ester, (aR,ssS)-; Benzenepropanoic acid, a-hydroxy-ss-[[(2-hydroxy-1,1-dimethylethoxy)carbonyl]amino]-, 12b-(acetyloxy)-12-(benzoyloxy)-2a,3,4,4a,5,6,9,10,11,12,12a,12b-dodecahydro-4,6,11-trihydroxy-4a,8,13,13-tetramethyl-5-oxo-7,11-methano-1H-cyclodeca[3,4]benz[1,2-b]oxet-9-yl ester, [2aR-[2aa,4ss,4ass,6ss,9a(aR*,ssS*),11a,12a,12aa,12ba]]-; 7,11-Methano-1H-cyclodeca[3,4]benz[1,2-b]oxete, benzenepropanoic acid deriv.; RPR 104952

CAS Registry Number 154044-57-2
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Benzenepropanoic acid, a-hydroxy-ss-[[(2-hydroxy-1,1-dimethylethoxy)carbonyl]amino]-, (2aR,4S,4aS,6R,9S,11S,12S,12aR,12bS)-12b-(acetyloxy)-12-(benzoyloxy)-2a,3,4,4a,5,6,9,10,11,12,12a,12b-dodecahydro-4,6,11-trihydroxy-4a,8,13,13-tetramethyl-5-oxo-7,11-methano-1H-cyclodeca[3,4]benz[1,2-b]oxet-9-yl ester, (aR,ssS)-; Benzenepropanoic acid, a-hydroxy-ss-[[(2-hydroxy-1,1-dimethylethoxy)carbonyl]amino]-, 12b-(acetyloxy)-12-(benzoyloxy)-2a,3,4,4a,5,6,9,10,11,12,12a,12b-dodecahydro-4,6,11-trihydroxy-4a,8,13,13-tetramethyl-5-oxo-7,11-methano-1H-cyclodeca[3,4]benz[1,2-b]oxet-9-yl ester, [2aR-[2aa,4ss,4ass,6ss,9a(aR*,ssS*),11a,12a,12aa,12ba]]-; 7,11-Methano-1H-cyclodeca[3,4]benz[1,2-b]oxete, benzenepropanoic acid deriv.; RPR 104952 结构式
Primary record

Benzenepropanoic acid, a-hydroxy-ss-[[(2-hydroxy-1,1-dimethylethoxy)carbonyl]amino]-, (2aR,4S,4aS,6R,9S,11S,12S,12aR,12bS)-12b-(acetyloxy)-12-(benzoyloxy)-2a,3,4,4a,5,6,9,10,11,12,12a,12b-dodecahydro-4,6,11-trihydroxy-4a,8,13,13-tetramethyl-5-oxo-7,11-methano-1H-cyclodeca[3,4]benz[1,2-b]oxet-9-yl ester, (aR,ssS)-; Benzenepropanoic acid, a-hydroxy-ss-[[(2-hydroxy-1,1-dimethylethoxy)carbonyl]amino]-, 12b-(acetyloxy)-12-(benzoyloxy)-2a,3,4,4a,5,6,9,10,11,12,12a,12b-dodecahydro-4,6,11-trihydroxy-4a,8,13,13-tetramethyl-5-oxo-7,11-methano-1H-cyclodeca[3,4]benz[1,2-b]oxet-9-yl ester, [2aR-[2aa,4ss,4ass,6ss,9a(aR*,ssS*),11a,12a,12aa,12ba]]-; 7,11-Methano-1H-cyclodeca[3,4]benz[1,2-b]oxete, benzenepropanoic acid deriv.; RPR 104952

库存
4,115 克
纯度
98.2 %
CAS
154044-57-2

化合物标识与属性

CAS
154044-57-2
PubChem CID
15765778
SMILES
CC1=C2[C@H](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)CO)O)O)OC(=O)C6=CC=CC=C6)(CO4)OC(=O)C)O)C)O
Canonical SMILES
CC(=O)O[C@@]12CO[C@@H]1C[C@H](O)[C@@]1(C)C(=O)[C@H](O)C3=C(C)[C@@H](OC(=O)[C@H](O)[C@@H](NC(=O)OC(C)(C)CO)c4ccccc4)C[C@@](O)([C@@H](OC(=O)c4ccccc4)[C@H]21)C3(C)C

名称与同义词

  • I56A6D7JJV
  • UNII-I56A6D7JJV
  • Docetaxel Metabolite M2
  • RefChem:202900
  • RPR-104952
  • Docetaxel Hydroxy tert-Butylcarbamate
  • CHEMBL3706530
  • CTK8F1143
  • CHEBI:143483
  • Docetaxel Hydroxy-tert-butyl-carbamate
  • RPR-104952, (-)-
  • 154044-57-2
  • NS00116685
  • J2.222.285F
  • Q27280468
  • BENZENEPROPANOIC ACID, .ALPHA.-HYDROXY-.BETA.-(((2-HYDROXY-1,1-DIMETHYLETHOXY)CARBONYL)AMINO)-, (2AR,4S,4AS,6R,9S,11S,12S,12AR,12BS)-12B-(ACETYLOXY)-12-(BENZOYLOXY)-2A,3,4,4A,5,6,9,10,11,12,12A,12B-DODECAHYDRO-4,6,11-TRIHYDROXY-4A,8,13,13-TETRAMETHYL-5-OXO-7,11-METHANO-1H-CYCLODECA(3,4)BENZ(1,2-B)OXET-9-YL ESTER, (.ALPHA.R,.BETA.S)-
  • (1S,2S,3R,4S,7R,9S,10S,12R,15S)-4-(acetyloxy)-1,9,12-trihydroxy-15-{[(2R,3S)-2-hydroxy-3-({[(1-hydroxy-2-methylpropan-2-yl)oxy]carbonyl}amino)-3-phenylpropanoyl]oxy}-10,14,17,17-tetramethyl-11-oxo-6-oxatetracyclo[11.3.1.03,10.04,7]heptadec-13-en-2-yl benzoate
  • (2R,3S)-2-Hydroxy-3-[(2-hydroxy-1,1-dimethylethoxy)carbonylamino]-3-phenylpropionic acid 1,7beta,10beta-trihydroxy-2alpha-(benzoyloxy)-4-acetoxy-9-oxo-5beta,20-epoxytaxa-11-ene-13alpha-yl ester
  • 9-Oxo-5beta,20-epoxytaxa-11-ene-1,2alpha,4,7beta,10beta,13alpha-hexaol 2-benzoate 4-acetate 13-[(2R,3S)-2-hydroxy-3-(1,1-dimethyl-2-hydroxyethoxycarbonylamino)-3-phenylpropionate]
  • Benzenepropanoic acid, a-hydroxy-ss-[[(2-hydroxy-1,1-dimethylethoxy)carbonyl]amino]-, (2aR,4S,4aS,6R,9S,11S,12S,12aR,12bS)-12b-(acetyloxy)-12-(benzoyloxy)-2a,3,4,4a,5,6,9,10,11,12,12a,12b-dodecahydro-4,6,11-trihydroxy-4a,8,13,13-tetramethyl-5-oxo-7,11-methano-1H-cyclodeca[3,4]benz[1,2-b]oxet-9-yl ester, (aR,ssS)-; Benzenepropanoic acid, a-hydroxy-ss-[[(2-hydroxy-1,1-dimethylethoxy)carbonyl]amino]-, 12b-(acetyloxy)-12-(benzoyloxy)-2a,3,4,4a,5,6,9,10,11,12,12a,12b-dodecahydro-4,6,11-trihydroxy-4a,8,13,13-tetramethyl-5-oxo-7,11-methano-1H-cyclodeca[3,4]benz[1,2-b]oxet-9-yl ester, [2aR-[2aa,4ss,4ass,6ss,9a(aR*,ssS*),11a,12a,12aa,12ba]]-; 7,11-Methano-1H-cyclodeca[3,4]benz[1,2-b]oxete, benzenepropanoic acid deriv.; RPR 104952
  • BENZENEPROPANOIC ACID, ALPHA-HYDROXY-BETA-(((2-HYDROXY-1,1-DIMETHYLETHOXY)CARBONYL)AMINO)-, (2AR,4S,4AS,6R,9S,11S,12S,12AR,12BS)-12B-(ACETYLOXY)-12-(BENZOYLOXY)-2A,3,4,4A,5,6,9,10,11,12,12A,12B-DODECAHYDRO-4,6,11-TRIHYDROXY-4A,8,13,13-TETRAMETHYL-5-OXO-7,11-METHANO-1H-CYCLODECA(3,4)BENZ(1,2-B)OXET-9-YL ESTER, (ALPHAR,BETAS)-