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脱乙酰-7-木糖基紫杉酚 C, 10-(P) | 90332-65-3

脱乙酰-7-木糖基紫杉酚 C, 10-(P)结构式图片|90332-65-3结构式图片
脱乙酰-7-木糖基紫杉酚 C, 10-(P)
Benzenepropanoic acid, a-hydroxy-b-[(1-oxohexyl)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-6,11-dihydroxy-4a,8,13,13-tetramethyl-5-oxo-4-(b-D-xylopyranosyloxy)-7,11-methano-1H-cyclodeca[3,4]benz[1,2-b]oxet-9-ylester, (aR,bS)-
90332-65-3
C49H63NO17
938.02103638649
如需查看该化合物的详细结构式,mol文件,smile,InChi 请点击:脱乙酰-7-木糖基紫杉酚 C, 10-(P)结构式
15222314
名称和标识符
InChIKey XGWGQEYABFGJID-UVDBIDMBSA-N
Inchi 1S/C49H63NO17/c1-7-8-11-20-33(53)50-35(27-16-12-9-13-17-27)38(56)44(60)64-30-22-49(61)42(66-43(59)28-18-14-10-15-19-28)40-47(6,41(58)37(55)34(25(30)2)46(49,4)5)31(21-32-48(40,24-63-32)67-26(3)51)65-45-39(57)36(54)29(52)23-62-45/h9-10,12-19,29-32,35-40,42,45,52,54-57,61H,7-8,11,20-24H2,1-6H3,(H,50,53)/t29-,30+,31+,32-,35+,36+,37-,38-,39-,40+,42+,45+,47-,48+,49-/m1/s1
SMILES O([C@@]12CO[C@@H]1C[C@H](O[C@@H]1OC[C@@H](O)[C@H](O)[C@H]1O)[C@]1(C([C@@H](C3=C(C)[C@@H](OC(=O)[C@H](O)[C@H](C4C=CC=CC=4)NC(=O)CCCCC)C[C@]([C@H]([C@H]21)OC(C1C=CC=CC=1)=O)(O)C3(C)C)O)=O)C)C(=O)C
别名信息
- 中文别名 -
  • 7-木糖甙-10-紫杉醇
  • 7-木糖基-10-去乙酰基紫杉醇 C
  • 7-木糖基-10-脱乙酰基紫杉醇C
  • 脱乙酰-7-木糖基紫杉酚 C, 10-(P)
  • 7-木糖基-10-去乙酰基紫杉醇C
- 英文别名 -
  • Benzenepropanoic acid, a-hydroxy-b-[(1-oxohexyl)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-6,11-dihydroxy-4a,8,13,13-tetramethyl-5-oxo-4-(b-D-xylopyranosyloxy)-7,11-methano-1H-cyclodeca[3,4]benz[1,2-b]oxet-9-ylester, (aR,bS)-
  • 7-Xylosyl-10-deacetyltaxol C
  • 10-DEACETYL-7-XYLOSYLPACLITAXEL
  • 7-XYLOSYL PACLITAXEL,0.8
  • Benzenepropanoic acid, a-hydroxy-b-[(1-oxohexyl)amino]-,(2aR,4S,4aS,6R,9S,11S,12S,12aR,12bS)-12b-(acetyloxy)-12-(benzoyloxy)-
  • 10-Deacetyltaxol C 7-xyloside
  • 7-(beta-Xylosyl)-10-deacetyltaxol C
  • [ "" ]
  • 7,11-Methano-1H-cyclodeca[3,4]benz[1,2-b]oxete, benzenepropanoic acid deriv. (ZCI)
  • Benzenepropanoic acid, α-hydroxy-β-[(1-oxohexyl)amino]-, 12b-(acetyloxy)-12-(benzoyloxy)-2a,3,4,4a,5,6,9,10,11,12,12a,12b-dodecahydro-6,11-dihydroxy-4a,8,13,13-tetramethyl-5-oxo-4-(β-D-xylopyranosyloxy)-7,11-methano-1H-cyclodeca[3,4]benz[1,2-b]oxet-9-yl ester, [2aR-[2aα,4β,4aβ,6β,9α(αR*,βS*),11α,12α,12aα,12bα]]- (ZCI)
  • 10-Deacetyl-7-xylosyltaxol C
  • 10-Deacetylpaclitaxel C 7-xyloside
  • 7-(β-Xylosyl)-10-deacetyltaxol C
  • 7-xylosyl-10-deacetyl taxol C
  • DTXSID101308975
  • CHEMBL3397058
  • [(1S,2S,3R,4S,7R,9S,10S,12R,15S)-4-acetyloxy-15-[(2R,3S)-3-(hexanoylamino)-2-hydroxy-3-phenylpropanoyl]oxy-1,12-dihydroxy-10,14,17,17-tetramethyl-11-oxo-9-[(2S,3R,4S,5R)-3,4,5-trihydroxyoxan-2-yl]oxy-6-oxatetracyclo[11.3.1.03,10.04,7]heptadec-13-en-2-yl] benzoate
  • XGWGQEYABFGJID-UVDBIDMBSA-N
  • HY-N7777
  • FS-6889
  • AKOS040760249
  • CS-0137312
  • 90332-65-3
  • MLS001097701
  • SMR000578104
  • (+)-7-Xylosyltaxol C
物化性质
实验特性
LogP 2.28560
PSA 274.14000
沸点 1062.3±65.0 °C at 760 mmHg
蒸气压 0.0±0.3 mmHg at 25°C
闪点 596.3±34.3 °C
溶解度 Insuluble (9.2E-4 g/L) (25 ºC),
颜色与性状 Powder
密度 1.41±0.1 g/cm3 (20 ºC 760 Torr),
计算特性
精确分子量 937.41000
氢键供体数量 7
氢键受体数量 18
可旋转化学键数量 18
同位素质量 937.40959954g/mol
重原子数量 67
复杂度 1880
同位素原子数量 0
确定原子立构中心数量 15
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) 0.6
拓扑分子极性表面积 274Ų
专业数据库参考
PubChemId 15222314
参考资料
Reaxys RN
960化工网为您提供脱乙酰-7-木糖基紫杉酚 C, 10-(P)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.:90332-65-3,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:90332-65-3
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