Chemical Compound

((1S,2S,3R,4S,7R,9S,10S,12R,15S)-4-acetyloxy-1,9,12-trihydroxy-15-((2R,3S)-2-hydroxy-3-((2-methylpropan-2-yl)oxycarbonylamino)-3-phenylpropanoyl)oxy-10,14,17,17-tetramethyl-11-oxo-6-oxatetracyclo(11.3.1.03,10.04,7)heptadec-13-en-2-yl) (E)-2-methylbut-2-enoate

CAS Registry Number 1887057-05-7
((1S,2S,3R,4S,7R,9S,10S,12R,15S)-4-acetyloxy-1,9,12-trihydroxy-15-((2R,3S)-2-hydroxy-3-((2-methylpropan-2-yl)oxycarbonylamino)-3-phenylpropanoyl)oxy-10,14,17,17-tetramethyl-11-oxo-6-oxatetracyclo(11.3.1.03,10.04,7)heptadec-13-en-2-yl) (E)-2-methylbut-2-enoate 结构式
Primary record

((1S,2S,3R,4S,7R,9S,10S,12R,15S)-4-acetyloxy-1,9,12-trihydroxy-15-((2R,3S)-2-hydroxy-3-((2-methylpropan-2-yl)oxycarbonylamino)-3-phenylpropanoyl)oxy-10,14,17,17-tetramethyl-11-oxo-6-oxatetracyclo(11.3.1.03,10.04,7)heptadec-13-en-2-yl) (E)-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
139025364
SMILES
C/C=C(\C)/C(=O)O[C@H]1[C@H]2[C@@]([C@H](CC3C2(CO3)OC(=O)C)O)(C(=O)[C@H](C4=C([C@H](CC1(C4(C)C)O)OC(=O)[C@@H](C(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]2C3(OC(C)=O)COC3C[C@H](O)[C@@]2(C)C(=O)[C@@H](O)C2=C(C)[C@@H](OC(=O)[C@H](O)C(NC(=O)OC(C)(C)C)c3ccccc3)CC1(O)C2(C)C

名称与同义词

  • Docetaxel EP Impurity A
  • 2-Desbenzoyl-2-tiglyl Docetaxel
  • RefChem:389589
  • 2-O-desbenzoyl-2-O-tiglyldocetaxel
  • 1887057-05-7
  • ((1S,2S,3R,4S,7R,9S,10S,12R,15S)-4-acetyloxy-1,9,12-trihydroxy-15-((2R,3S)-2-hydroxy-3-((2-methylpropan-2-yl)oxycarbonylamino)-3-phenylpropanoyl)oxy-10,14,17,17-tetramethyl-11-oxo-6-oxatetracyclo(11.3.1.03,10.04,7)heptadec-13-en-2-yl) (E)-2-methylbut-2-enoate
  • (2b,5b,7a,10b,13a)-4-Acetoxy-13-(((2R,3S)-3-[(tert-butoxycarbonyl)amino]-2-hydroxy-3-phenylpropanoyl)oxy)-1,7,10-trihydroxy-9-oxo-5,20-epoxytax-11-en-2-yl (2E)-2-Methylbut-2-enoate; Docetaxel Impurity A;
  • [(1S,2S,3R,4S,7R,9S,10S,12R,15S)-4-acetyloxy-1,9,12-trihydroxy-15-[(2R,3S)-2-hydroxy-3-[(2-methylpropan-2-yl)oxycarbonylamino]-3-phenylpropanoyl]oxy-10,14,17,17-tetramethyl-11-oxo-6-oxatetracyclo[11.3.1.03,10.04,7]heptadec-13-en-2-yl] (E)-2-methylbut-2-enoate
  • 892-390-1