(3ξ,5β,7β,10β)-4,10-Diacetoxy-1-hydroxy-13-{[(3S)-2-hydroxy-3-({[ (2-methyl-2-propanyl)oxy]carbonyl}amino)-3-phenylpropanoyl]oxy}-9 -oxo-5,20-epoxy-7,19-cyclotax-11-en-2-yl benzoate

(3ξ,5β,7β,10β)-4,10-Diacetoxy-1-hydroxy-13-{[(3S)-2-hydroxy-3-({[ (2-methyl-2-propanyl)oxy]carbonyl}amino)-3-phenylpropanoyl]oxy}-9 -oxo-5,20-epoxy-7,19-cyclotax-11-en-2-yl benzoate 基本信息
CAS号 156294-36-9 分子式 C45H53NO14
分子量 831.90100 精确质量  831.34700
PSA  213.78000 LogP  4.67390

基本信息 展开↓

CAS号:
156294-36-9
3D弹球模型:
立即前往扯扯看
分子式:
C45H53NO14
分子量:
831.90100
中文名称:
(3ξ,5β,7β,10β)-4,10-Diacetoxy-1-hydroxy-13-{[(3S)-2-hydroxy-3-({[ (2-methyl-2-propanyl)oxy]carbonyl}amino)-3-phenylpropanoyl]oxy}-9 -oxo-5,20-epoxy-7,19-cyclotax-11-en-2-yl benzoate
英文名称:
(3ξ,5β,7β,10β)-4,10-Diacetoxy-1-hydroxy-13-{[(3S)-2-hydroxy-3-({[ (2-methyl-2-propanyl)oxy]carbonyl}amino)-3-phenylpropanoyl]oxy}-9 -oxo-5,20-epoxy-7,19-cyclotax-11-en-2-yl benzoate
中文别名:
(3ξ,5β,7β,10β)-4,10-Diacetoxy-1-hydroxy-13-{[(3S)-2-hydroxy-3-({[ (2-methyl-2-propanyl)oxy]carbonyl}amino)-3-phenylpropanoyl]oxy}-9 -oxo-5,20-epoxy-7,19-cyclotax-11-en-2-yl benzoate
英文别名:
(3ξ,5β,7β,10β)-4,10-Diacetoxy-1-hydroxy-13-{[(3S)-2-hydroxy-3-({[ (2-methyl-2-propanyl)oxy]carbonyl}amino)-3-phenylpropanoyl]oxy}-9 -oxo-5,20-epoxy-7,19-cyclotax-11-en-2-yl benzoate;
valiolamine;
acetylcyclopropyl docetaxel;
Valinolamine;
Valiolamine hydrate;
acetocyclopropyl taxotere
精确分子量/精确质量:
831.34700
极性分子表面积/PSA:
213.78000
油水分配系数/LogP:

LogP值指的是某物质在正辛醇/水两相体系中的分配系数的对数值,反映了物质在油水两相中的分配情况。其中、LogP值越大,说明该物质越亲油;反之,LogP值越小,则说明该物质越亲水。
InChI:
The Key: DXOJIXGRFSHVKA-BZVZGCBYSA-N

合成路线查看所有的合成路线

  • 156294-33-6

    156294-33-6

  • 156294-36-9

    (3ξ,5β,7β,10β)-4,10-Diacetoxy-1-hydroxy-13-{[(3S)-2-hydroxy-3-({[ (2-methyl-2-propanyl)oxy]carbonyl}amino)-3-phenylpropanoyl]oxy}-9 -oxo-5,20-epoxy-7,19-cyclotax-11-en-2-yl benzoate

  • 27548-93-2

    巴卡丁 III

  • 156294-36-9

    (3ξ,5β,7β,10β)-4,10-Diacetoxy-1-hydroxy-13-{[(3S)-2-hydroxy-3-({[ (2-methyl-2-propanyl)oxy]carbonyl}amino)-3-phenylpropanoyl]oxy}-9 -oxo-5,20-epoxy-7,19-cyclotax-11-en-2-yl benzoate

  • 32981-86-5

    10-脱乙酰基巴卡丁 III

  • 156294-36-9

    (3ξ,5β,7β,10β)-4,10-Diacetoxy-1-hydroxy-13-{[(3S)-2-hydroxy-3-({[ (2-methyl-2-propanyl)oxy]carbonyl}amino)-3-phenylpropanoyl]oxy}-9 -oxo-5,20-epoxy-7,19-cyclotax-11-en-2-yl benzoate

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  • 156294-35-8

    (2α,3α,4α,5β,7α,10β,13α)-4,10-bis(acetyloxy)-13-({(2R,3S)-3-[(tert-butoxycarbonyl)amino]-2-hydroxy-3-phenylpropanoyl}oxy)-1-hydroxy-9-oxo-5,20-epoxy-7,19-cyclotax-11-en-2-yl benzoate

  • 32981-86-5

    10-脱乙酰基巴卡丁 III

  • 27548-93-2

    巴卡丁 III

  • 156294-33-6

    N/A

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