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3-P-羟基紫杉醇 | 132160-32-8

3-P-羟基紫杉醇结构式图片|132160-32-8结构式图片
3-P-羟基紫杉醇
3’-p-Hydroxy Paclitaxel
132160-32-8
C47H51NO15
869.905540000001
如需查看该化合物的详细结构式,mol文件,smile,InChi 请点击:3-P-羟基紫杉醇结构式
3081785
3-P-羟基紫杉醇价格
名称和标识符
InChIKey XKSMHFPSILYEIA-HXZKEHTGSA-N
Inchi InChI=1S/C47H51NO15/c1-24-31(61-43(57)36(53)35(27-17-19-30(51)20-18-27)48-41(55)28-13-9-7-10-14-28)22-47(58)40(62-42(56)29-15-11-8-12-16-29)38-45(6,32(52)21-33-46(38,23-59-33)63-26(3)50)39(54)37(60-25(2)49)34(24)44(47,4)5/h7-20,31-33,35-38,40,51-53,58H,21-23H2,1-6H3,(H,48,55)/t31?,32-,33+,35?,36?,37+,38?,40?,45+,46-,47+/m0/s1
SMILES OC1C=CC(C(C(C(OC2C(C)=C3C(C)(C)[C@@](C(C4[C@@]5(CO[C@@H]5C[C@H](O)[C@]4(C([C@@H]3OC(=O)C)=O)C)OC(=O)C)OC(C3C=CC=CC=3)=O)(O)C2)=O)O)NC(C2C=CC=CC=2)=O)=CC=1
别名信息
- 中文别名 -
  • 3′-P-羟基紫杉醇
  • 3''-P-羟基紫杉醇
  • 3'-P-羟基紫杉醇
  • 3-P-羟基紫杉醇
- 英文别名 -
  • Benzenepropanoic acid, b-(benzoylamino)-a,4-dihydroxy-,(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)-
  • 3’-p-Hydroxy Paclitaxel
  • 3'-p-Hydroxy Paclitaxel
  • Benzenepropanoic acid, b-(benzoylamino)-a,4-dihydroxy-,(2aR,4S,4aS,6R,9S,11S,12S,12aR,12bS)-6,...
  • Benzenepropanoic acid, b-(benzoylamino)-a,4-dihydroxy-,(2aR,4S,4aS,6R,9S,11S,12S,12aR,12bS)-6,12b-bis(acetyloxy)-12-(benzoylo
  • HYDROXYTAXOL, 3'-p-(P)
  • HYDROXYTAXOL, 3'-p-(P) PrintBack
  • 3'-Para-hydroxypaclitaxel
  • P-3'-HYDROXYPACLITAXEL STANDARD
  • [2aR-[2aα,4β,4aβ,6β,9α(αR*,βS*),11α,12α,12aα,12bα]]-β-(BenzoylaMino)-α,4-dihydroxy-benzenepropanoic Acid 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-4-oxo-7,11-Methano-1H-cyclodeca[3,4]benz[1,2-b]oxet-9-yl Ester
  • 132160-32-8
  • [(1S,2S,3R,4S,7R,9S,10S,12R,15S)-4,12-diacetyloxy-15-[(2R,3S)-3-benzamido-2-hydroxy-3-(4-hydroxyphenyl)propanoyl]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
  • 3'-p-hydroxy-paclitaxel
  • CHEMBL307088
  • (2aR,4S,4aS,6R,9S,11S,12S,12aR,12bS)-9-(((2R,3S)-3-Benzamido-2-hydroxy-3-(4-hydroxyphenyl)propanoyl)oxy)-12-(benzoyloxy)-4,11-dihydroxy-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]oxete-6,12b-diyl diacetate
  • 3'-p-Hydroxypaclitaxel
  • DTXSID201314434
  • starbld0032237
  • Benzenepropanoic acid, beta-(benzoylamino)-alpha,4-dihydroxy-, (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-yl ester, (alphaR,betaS)-
  • Benzenepropanoic acid, beta-(benzoylamino)-alpha,4-dihydroxy-, 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-4-oxo-7,11-methano-1H-cyclodeca(3,4)benz(1,2-b)oxet-9-yl ester, (2aR-(2aalpha,4beta,4abeta,6beta,9alpha(alp
物化性质
实验特性
LogP 3.83220
PSA 241.52000
折射率 1.647
沸点 988.2°Cat760mmHg
熔点 182-184°C
蒸气压 0.0±0.3 mmHg at 25°C
闪点 551.4°C
溶解度 Chloroform (Slightly), Methanol (Slightly)
密度 1.43
计算特性
精确分子量 869.32600
氢键供体数量 5
氢键受体数量 15
可旋转化学键数量 14
同位素质量 869.32587
重原子数量 63
复杂度 1830
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) 2.1
拓扑分子极性表面积 242
专业数据库参考
PubChemId 3081785
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