Chemical Compound

3-OXAZOLIDINEPROPANOIC ACID, .ALPHA.-HYDROXY-5,5-DIMETHYL-2,4-DIOXO-.BETA.-PHENYL-, (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)-

CAS Registry Number 157067-34-0
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3-OXAZOLIDINEPROPANOIC ACID, .ALPHA.-HYDROXY-5,5-DIMETHYL-2,4-DIOXO-.BETA.-PHENYL-, (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)- 结构式
Primary record

3-OXAZOLIDINEPROPANOIC ACID, .ALPHA.-HYDROXY-5,5-DIMETHYL-2,4-DIOXO-.BETA.-PHENYL-, (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)-

库存
7,594 克
纯度
99.6 %
CAS
157067-34-0

化合物标识与属性

CAS
157067-34-0
PubChem CID
15765782
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)N6C(=O)C(OC6=O)(C)C)O)O)OC(=O)C7=CC=CC=C7)(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](c4ccccc4)N4C(=O)OC(C)(C)C4=O)C[C@@](O)([C@@H](OC(=O)c4ccccc4)[C@H]21)C3(C)C

名称与同义词

  • Docetaxel Metabolite M4
  • UNII-49E4SSQ1AG
  • 49E4SSQ1AG
  • Docetaxel Impurity 52
  • 157067-34-0
  • RefChem:202899
  • RPR-104943
  • CHEMBL3706533
  • CTK8E7080
  • DTXSID90578107
  • RPR-104943, (-)-
  • C43H49NO15
  • MFCD02738337
  • AKOS025294610
  • ZINC253592124
  • RPR 104943
  • Benzothiazole,2-methyl-5-(4-methylphenyl)
  • RT-012398
  • FT-0667749
  • J2.222.287B
  • Q27259270
  • [(1S,2S,3R,4S,7R,9S,10S,12R,15S)-4-acetyloxy-15-[(2R,3S)-3-(5,5-dimethyl-2,4-dioxo-1,3-oxazolidin-3-yl)-2-hydroxy-3-phenylpropanoyl]oxy-1,9,12-trihydroxy-10,14,17,17-tetramethyl-11-oxo-6-oxatetracyclo[11.3.1.03,10.04,7]heptadec-13-en-2-yl] benzoate
  • 3-OXAZOLIDINEPROPANOIC ACID, .ALPHA.-HYDROXY-5,5-DIMETHYL-2,4-DIOXO-.BETA.-PHENYL-, (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)-15-{[(2R,3S)-3-(5,5-dimethyl-2,4-dioxo-1,3-oxazolidin-3-yl)-2-hydroxy-3-phenylpropanoyl]oxy}-1,9,12-trihydroxy-10,14,17,17-tetramethyl-11-oxo-6-oxatetracyclo[11.3.1.03,10.04,7]heptadec-13-en-2-yl benzoate
  • (2aR,4S,4aS,6R,9S,11S,12S,12aR,12bS)-12b-acetoxy-9-(((2R,3S)-3-(5,5-dimethyl-2,4-dioxooxazolidin-3-yl)-2-hydroxy-3-phenylpropanoyl)oxy)-4,6,11-trihydroxy-4a,8,13,13-tetramethyl-5-oxo-2a,3,4,4a,5,6,9,10,11,12,12a,12b-dodecahydro-1H-7,11-methanocyclodeca[3,
  • (2R,3S)-2-Hydroxy-3-(5,5-dimethyl-2,4-dioxooxazolidine-3-yl)-3-phenylpropionic acid 1,7beta,10beta-trihydroxy-2alpha-(benzoyloxy)-4-acetoxy-9-oxo-5beta,20-epoxytaxa-11-ene-13alpha-yl ester
  • (5beta,7beta,10beta,13alpha)-4-(Acetyloxy)-13-{[(2R,3S)-3-(5,5-dimethyl-2,4-dioxo-1,3-oxazolidin-3-yl)-2-hydroxy-3-phenylpropanoyl]oxy}-1,7,10-trihydroxy-9-oxo-5,20-epoxytax-11-en-2-yl benzoate
  • [(1S,2S,3R,4S,7R,9S,10S,12R,15S)-4-acetoxy-15-[(2R,3S)-3-(5,5-dimethyl-2,4-dioxo-oxazolidin-3-yl)-2-hydroxy-3-phenyl-propanoyl]oxy-1,9,12-trihydroxy-10,14,17,17-tetramethyl-11-oxo-6-oxatetracyclo[11.3.1.03,10.04,7]heptadec-13-en-2-yl] benzoate
  • 3-OXAZOLIDINEPROPANOIC ACID, ALPHA-HYDROXY-5,5-DIMETHYL-2,4-DIOXO-BETA-PHENYL-, (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)-
  • 4-(Acetyloxy)-13alpha-{[(2R,3S)-3-(5,5-dimethyl-2,4-dioxo-1,3-oxazolidin-3-yl)-2-hydroxy-3-phenylpropanoyl]oxy}-1,7beta,10beta-trihydroxy-9-oxo-4alpha,5beta-5,20-epoxytax-11-en-2alpha-yl benzoate
  • 9-Oxo-5beta,20-epoxytaxa-11-ene-1,2alpha,4,7beta,10beta,13alpha-hexaol 2-benzoate 4-acetate 13-[(2R,3S)-2-hydroxy-3-(2,4-dioxo-5,5-dimethyloxazolidine-3-yl)-3-phenylpropionate]