CAS: 81489-69-2; (1S,3Ar,4R,5R,5Ar,7S,9S,9As,10R,11S,11Ar)-7-(Cinnamoyloxy)-11A-Hydroxy-1,3A,9A-Trimethyl-6-Methylene-13-Oxotetradecahydro-1,4-Ethanobenzo[5,6]Cycloocta[1,2-C]Furan-5,9,10,11-Tetrayl Tetraacetate

• 英文名称(1S,3Ar,4R,5R,5Ar,7S,9S,9As,10R,11S,11Ar)-7-(Cinnamoyloxy)-11A-Hydroxy-1,3A,9A-Trimethyl-6-Methylene-13-Oxotetradecahydro-1,4-Ethanobenzo[5,6]Cycloocta[1,2-C]Furan-5,9,10,11-Tetrayl Tetraacetate
• 中文名称紫杉吉酚
• IUPAC名称(1S,3aR,4R,5R,5aR,7S,9S,9aS,10R,11S,11aR)-7-(cinnamoyloxy)-11a-hydroxy-1,3a,9a-trimethyl-6-methylene-13-oxotetradecahydro-1,4-ethanobenzo[5,6]cycloocta[1,2-c]furan-5,9,10,11-tetrayl tetraacetate
• 其它别名Taxagifine; Taxagifin; 2-Propenoic Acid, 3-Phenyl-, (1S,3Ar,4R,5R,5Ar,7S,9S,9As,10R,11S,11Ar)-5,9,10,11-Tetrakis(Acetyloxy)Tetradecahydro-11A-Hydroxy-1,3A,9A-Trimethyl-6-Methylene-13-Oxo-1,4-Ethanobenzo[5,6]Cycloocta[1,2-C]Furan-7-Yl Ester, (2E)-
• CAS编号81489-69-2
• FDA UNII编号:H6F6Z86DFD
• 分子式:C37H44O13分子量:696.75
• 产品CID: 1808190
• 产品分类有机原料 → 有机酸及其衍生物 → 羧酸及其衍生物

• 相似结构搜索
• InChIKey: FQCUWQFKTUBVLA-PGBLWRDZSA-N
• InChI=1S/C37H44O13/c1-19-26(50-29(43)15-14-24-12-10-9-11-13-24)17-28(46-20(2)38)35(7)30(19)31(47-21(3)39)25-16-27(42)36(8)37(44,34(25,6)18-45-36)33(49-23(5)41)32(35)48-22
• 计算化学: 氢键受体数13.0氢键供体数1.0可旋转键数12.0

物理性质

• 沸点736.1±60.0 °C(预测)
• 闪点221.0±26.4 °C
• 密度1.32±0.1 g/cm3(预测)
• pKa:11.70±0.70(预测)
• PSA:178.03
• LogP:3.0497

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
• 💡 提示：海关信息按照顺序优先匹配，如需确认的海关信息，请参考相关资料。
• 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