Chemical Compound

(E)-(2aR,4S,4aS,6R,9S,11S,12S,12aR,12bS)-12b-acetoxy-9-(((2R,3S)-3-((tert-butoxycarbonyl)amino)-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[3,4]benzo[1,2-b]oxet-12-yl 2-methylbut-2-enoate

CAS Registry Number 1887057-05-7
返回搜索 申请报价
(E)-(2aR,4S,4aS,6R,9S,11S,12S,12aR,12bS)-12b-acetoxy-9-(((2R,3S)-3-((tert-butoxycarbonyl)amino)-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[3,4]benzo[1,2-b]oxet-12-yl 2-methylbut-2-enoate 结构式
Primary record

(E)-(2aR,4S,4aS,6R,9S,11S,12S,12aR,12bS)-12b-acetoxy-9-(((2R,3S)-3-((tert-butoxycarbonyl)amino)-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[3,4]benzo[1,2-b]oxet-12-yl 2-methylbut-2-enoate

库存
5,334 克
纯度
99.5 %
CAS
1887057-05-7

化合物标识与属性

CAS
1887057-05-7
PubChem CID
76972100
SMILES
C/C=C(\C)/C(=O)O[C@H]1[C@H]2[C@@]([C@H](C[C@@H]3[C@]2(CO3)OC(=O)C)O)(C(=O)[C@@H](C4=C([C@H](C[C@@]1(C4(C)C)O)OC(=O)[C@@H]([C@H](C5=CC=CC=C5)NC(=O)OC(C)(C)C)O)C)O)C
Canonical SMILES
C/C=C(\C)C(=O)O[C@H]1[C@@H]2[C@]3(OC(C)=O)CO[C@@H]3C[C@H](O)[C@@]2(C)C(=O)[C@H](O)C2=C(C)[C@@H](OC(=O)[C@H](O)[C@@H](NC(=O)OC(C)(C)C)c3ccccc3)C[C@]1(O)C2(C)C

名称与同义词

  • Docetaxel Impurity A
  • Docetaxel EP Impurity A
  • starbld0002753
  • JZ14779AZJ
  • SCHEMBL30359540
  • 2-O-desbenzoyl-2-O-tiglyldocetaxel
  • CS-O-15619
  • 2-DEBENZOXYL 2-PENTENOYL DOCETAXEL
  • DOCETAXEL TRIHYDRATE IMPURITY A [EP IMPURITY]
  • Q27281749
  • 1887057-05-7
  • (E)-(2aR,4S,4aS,6R,9S,11S,12S,12aR,12bS)-12b-acetoxy-9-(((2R,3S)-3-((tert-butoxycarbonyl)amino)-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[3,4]benzo[1,2-b]oxet-12-yl 2-methylbut-2-enoate
  • DOCETAXEL IMPURITY, 2-DEBENZOXYL 2-PENTENOYL DOCETAXEL- [USP IMPURITY]
  • 5.BETA.,20-EPOXY-1,7.BETA.,10.BETA.-TRIHYDROXY-9-OXOTAX-11-ENE-2.ALPHA.,4,13.ALPHA.-TRIYL 4-ACETATE 13-((2R,3S)-3-(((1,1DIMETHYLETHOXY)CARBONYL)AMINO)-2-HYDROXY-3-PHENYLPROPANOATE) 2-((2E)-2-METHYLBUT-2-ENOATE)