CAS: 3835-52-7; (3S,4Ar,5R,6R,11R,12R,12Ar)-3-(Cinnamoyloxy)-9,12A,13,13-Tetramethyl-4-Methylene-8-Oxo-1,2,3,4,4A,5,6,7,8,11,12,12A-Dodecahydro-6,10-Methanobenzo[10]Annulene-5,11,12-Triyl Triacetate

• 英文名称(3S,4Ar,5R,6R,11R,12R,12Ar)-3-(Cinnamoyloxy)-9,12A,13,13-Tetramethyl-4-Methylene-8-Oxo-1,2,3,4,4A,5,6,7,8,11,12,12A-Dodecahydro-6,10-Methanobenzo[10]Annulene-5,11,12-Triyl Triacetate
• 中文名称紫杉宁
• IUPAC名称(3S,4aR,5R,6R,11R,12R,12aR)-3-(cinnamoyloxy)-9,12a,13,13-tetramethyl-4-methylene-8-oxo-1,2,3,4,4a,5,6,7,8,11,12,12a-dodecahydro-6,10-methanobenzo[10]annulene-5,11,12-triyl triacetate
• 其它别名Taxinine; (E)-3-Phenylpropenoic Acid (3S,6R)-5α,11β,12α-Triacetoxy-1,2,3,4,4Aα,5,6,7,8,11,12,12A-Dodecahydro-9,12Aβ,13,13-Tetramethyl-4-Methylene-8-Oxo-6,10-Methanobenzocyclodecen-3-Yl Ester; 5α-Cinnamoyloxy-2α,9α,10β-Triacetoxytaxa-4(20),11-Dien-13-One; Cinnamic Acid 13-Oxo-2α,9α,10β-Triacetoxytaxa-4(20),11-Dien-5α-Yl Ester; Taxinin; O-Cinnamoyltaxicin-Ii Triacetate; Axinine; 2-Propenoic Acid, 3-Phenyl-, (3S,4Ar,5R,6R,11R,12R,12Ar)-5,11,12-Tris(Acetyloxy)-1,2,3,4,4A,5,6,7,8,11,12,12A-Dodecahydro-9,12A,13,13-Tetramethyl-4-Methylene-8-Oxo-6,10-Methanobenzocyclodecen-3-Yl Ester, (2E)-
• CAS编号3835-52-7
• MFCD编号:MFCD00272640
• FDA UNII编号:B7554596HX
• 分子式:C35H42O9分子量:606.71
• 产品CID: 1395518
• 产品分类天然产物 → 萜类

• 相似结构搜索
• 产品信息参考;;;;
• InChIKey: BAYHEZUZRPMUDM-NZQCMWGGSA-N
• InChI=1S/C35H42O9/c1-19-26(39)18-25-31(41-21(3)36)30-20(2)27(44-28(40)15-14-24-12-10-9-11-13-24)16-17-35(30,8)33(43-23(5)38)32(42-22(4)37)29(19)34(25,6)7/h9-15,25,27,30-3
• 计算化学: 氢键受体数9.0氢键供体数*可旋转键数10.0

物理性质

• 熔点264-265°C
• 沸点669.7±55.0 °C(预测)
• 闪点275.2 °C
• 密度1.21±0.1 g/cm3(预测)
• PH:D18 +137° (chloroform)
• PSA:122.27
• LogP:5.3245
• 蒸汽压8.46E-18 mmHg at 25 °C

MSDS等安全信息

• 危险描述H303 May be harmful if swallowed+H313 Skin contact may be harmful+H333 Inhalation may be harmful to the body
• 防范说明P264+P280+P305+P351+P338+P337+P313
• 安全声明H303+H313+H333

合成工艺路线路线简述

海关参考信息

• 2901210000-乙烯
  2901220000-丙烯
  2902300000-甲苯
  2902500000-苯乙烯
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• 详情请参考：📖 海关编码查询和海关进出口税则

其他信息查阅

• ➥ 象形图和危险代码
• ➥ 防范代码详解
• ➥ 危险代码说明
• ➥ Globally Harmonized System
• ➥ REACH监管