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Benzenepropanoic acid, b-[(4-benzoylbenzoyl)amino]-a-hydroxy-,(2aR,4S,4aS,6R,9S,11S,12S,12aR,12bS)-6,12b-bis(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-oxo-7,11-methano-1H-cyclodeca[3,4]benz[1,2-b]oxet-9-ylester, (aR,bS)- | 156481-34-4

Benzenepropanoic acid, b-[(4-benzoylbenzoyl)amino]-a-hydroxy-,(2aR,4S,4aS,6R,9S,11S,12S,12aR,12bS)-6,12b-bis(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-oxo-7,11-methano-1H-cyclodeca[3,4]benz[1,2-b]oxet-9-ylester, (aR,bS)-结构式图片|156481-34-4结构式图片
Benzenepropanoic acid, b-[(4-benzoylbenzoyl)amino]-a-hydroxy-,(2aR,4S,4aS,6R,9S,11S,12S,12aR,12bS)-6,12b-bis(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-oxo-7,11-methano-1H-cyclodeca[3,4]benz[1,2-b]oxet-9-ylester, (aR,bS)-
156481-34-4
C54H55NO15
958.012200000001
158354
名称和标识符
InChIKey ULRXXOPTBNYPKA-IUUNCCRFSA-N
Inchi InChI=1S/C54H55NO15/c1-29-37(68-50(64)43(60)41(32-16-10-7-11-17-32)55-48(62)35-24-22-34(23-25-35)42(59)33-18-12-8-13-19-33)27-54(65)47(69-49(63)36-20-14-9-15-21-36)45-52(6,38(58)26-39-53(45,28-66-39)70-31(3)57)46(61)44(67-30(2)56)40(29)51(54,4)5/h7-25,37-39,41,43-45,47,58,60,65H,26-28H2,1-6H3,(H,55,62)/t37-,38+,39-,41-,43-,44-,45+,47-,52-,53+,54-/m1/s1
SMILES C1C=CC(C(C2C=CC(C(N[C@@H]([C@H](C(O[C@H]3C(C)=C4C(C)(C)[C@@]([C@@H]([C@@H]5[C@@]6(CO[C@@H]6C[C@H](O)[C@]5(C([C@@H]4OC(=O)C)=O)C)OC(=O)C)OC(C4C=CC=CC=4)=O)(O)C3)=O)O)C3C=CC=CC=3)=O)=CC=2)=O)=CC=1
别名信息
- 中文别名 -
- 英文别名 -
  • Benzenepropanoic acid, b-[(4-benzoylbenzoyl)amino]-a-hydroxy-,(2aR,4S,4aS,6R,9S,11S,12S,12aR,12bS)-6,12b-bis(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-oxo-7,11-methano-1H-cyclodeca[3,4]benz[1,2-b]oxet-9-ylester, (aR,bS)-
  • Benzenepropanoic acid, b-[(4-benzoylbenzoyl)amino]-a-hydroxy-,(2aR,4S,4aS,6R,9S,11S,12S,12aR,1...
  • Benzenepropanoic acid, b-[(4-benzoylbenzoyl)amino]-a-hydroxy-,(2aR,4S,4aS,6R,9S,11S,12S,12aR,12bS)-6,12b-bis(acetyloxy)-12-(b
  • Benzoyltaxol
  • Benzenepropanoic acid, beta-((4-benzoylbenzoyl)amino)-alpha-hydroxy-, 6,12b-bis(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-oxo-7,11-methano-1H-cyclodeca(3,4)benz(1,2-b)oxet-9-yl ester,(2aR-(2aalpha,4beta,4abeta,6beta,9alpha(alphaR*,betaS*),11alpha,12alpha,12aalpha,12balpha))-
  • Benzoyl-taxol
  • Benzoyl-taxol
  • 156481-34-4
  • 156481-34-4
  • 156481-34-4
  • [(1S,2S,3R,4S,7R,9S,10S,12R,15S)-4,12-diacetyloxy-15-[(2R,3S)-3-[(4-benzoylbenzoyl)amino]-2-hydroxy-3-phenylpropanoyl]oxy-1,9-dihydroxy-10,14,17,17-tetramethyl-11-oxo-6-oxatetracyclo[11.3.1.03,10.04,7]heptadec-13-en-2-yl] benzoate
  • [(1S,2S,3R,4S,7R,9S,10S,12R,15S)-4,12-diacetyloxy-15-[(2R,3S)-3-[(4-benzoylbenzoyl)amino]-2-hydroxy-3-phenylpropanoyl]oxy-1,9-dihydroxy-10,14,17,17-tetramethyl-11-oxo-6-oxatetracyclo[11.3.1.03,10.04,7]heptadec-13-en-2-yl] benzoate
  • [(1S,2S,3R,4S,7R,9S,10S,12R,15S)-4,12-diacetyloxy-15-[(2R,3S)-3-[(4-benzoylbenzoyl)amino]-2-hydroxy-3-phenylpropanoyl]oxy-1,9-dihydroxy-10,14,17,17-tetramethyl-11-oxo-6-oxatetracyclo[11.3.1.03,10.04,7]heptadec-13-en-2-yl] benzoate
  • benzoyltaxol
  • benzoyltaxol
  • benzoyltaxol
物化性质
实验特性
折射率 1.652
沸点 1032.2°Cat760mmHg
闪点 578.1°C
密度 1.4
计算特性
精确分子量 957.35717
氢键供体数量 4
氢键受体数量 15
可旋转化学键数量 16
同位素质量 957.35717
重原子数量 70
复杂度 2060
同位素原子数量 0
确定原子立构中心数量 11
不确定原子立构中心数量 0
确定化学键立构中心数量 0
不确定化学键立构中心数量 0
共价键单元数量 1
疏水参数计算参考值(XlogP) 3.8
拓扑分子极性表面积 238
专业数据库参考
PubChemId 158354
Benzenepropanoic acid, b-[(4-benzoylbenzoyl)amino]-a-hydroxy-,(2aR,4S,4aS,6R,9S,11S,12S,12aR,12bS)-6,12b-bis(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-oxo-7,11-methano-1H-cyclodeca[3,4]benz[1,2-b]oxet-9-ylester, (aR,bS)-推荐生产厂家
960化工网为您提供Benzenepropanoic acid, b-[(4-benzoylbenzoyl)amino]-a-hydroxy-,(2aR,4S,4aS,6R,9S,11S,12S,12aR,12bS)-6,12b-bis(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-oxo-7,11-methano-1H-cyclodeca[3,4]benz[1,2-b]oxet-9-ylester, (aR,bS)-专业化合物百科信息,包括中文名,英文名,分子式,分子量,以及该化合物的CasNo.:156481-34-4,和相关理化性质;并提供了优质生产厂家信息包括厂家名称和联系方式等;| WAP 版:156481-34-4
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