CAS: 210108-86-4; (2R,3R,3As,4R,6S,7S,8S,12S,13S,13Ar,E)-3-(Benzoyloxy)-13A-Hydroxy-2,9,9,12-Tetramethyl-5-Methylene-2,3,3A,4,5,6,7,8,9,12,13,13A-Dodecahydro-1H-Cyclopenta[12]Annulene-2,4,6,7,8,13-Hexayl Hexaacetate

• 英文名称(2R,3R,3As,4R,6S,7S,8S,12S,13S,13Ar,E)-3-(Benzoyloxy)-13A-Hydroxy-2,9,9,12-Tetramethyl-5-Methylene-2,3,3A,4,5,6,7,8,9,12,13,13A-Dodecahydro-1H-Cyclopenta[12]Annulene-2,4,6,7,8,13-Hexayl Hexaacetate
• 中文名称2,5,7,8,9,14-六乙酰氧基-3-苯甲酰基氧基-15-羟基-6(17),11E-麻风树属二烯
• IUPAC名称(2R,3R,3aS,4R,6S,7S,8S,12S,13S,13aR,E)-3-(benzoyloxy)-13a-hydroxy-2,9,9,12-tetramethyl-5-methylene-2,3,3a,4,5,6,7,8,9,12,13,13a-dodecahydro-1H-cyclopenta[12]annulene-2,4,6,7,8,13-hexayl hexaacetate
• 其它别名2,5,7,8,9,14-Hexaacetoxy-3-Benzoyloxy-15-Hydroxyjatropha-6(17),11E-Diene; Jatrophane 2; 3Ah-Cyclopentacyclododecene-1,2,3A,4,9,10,11,13-Octol, 1,2,3,4,5,8,9,10,11,12,13,13A-Dodecahydro-2,5,8,8-Tetramethyl-12-Methylene-, 2,4,9,10,11,13-Hexaacetate 1-Benzoate, (1R,2R,3Ar,4S,5S,6E,9S,10S,11S,13R,13As)-
• CAS编号210108-86-4
• MFCD编号:MFCD20274645
• 分子式:C39H50O15分子量:758.81
• 产品CID: 1086522
• 产品分类天然产物 → 萜类

• 相似结构搜索
• 产品信息参考;;;;
• InChIKey: AHHKCKIAGSAXCR-DXFPZIRUSA-N
• InChI=1S/C39H50O15/c1-20-17-18-37(9,10)35(52-26(7)44)32(50-24(5)42)31(49-23(4)41)21(2)30(48-22(3)40)29-34(53-36(46)28-15-13-12-14-16-28)38(11,54-27(8)45)19-39(29,47)33(20
• 计算化学: 氢键受体数15.0氢键供体数1.0可旋转键数15.0

物理性质

• 沸点710.0±60.0 °C at 760 mmHg
• 闪点202.3±26.4 °C
• 密度1.3±0.1 g/cm3
• pKa:12.34±0.70(预测)
• PSA:204.33
• LogP:5.81
• 折射率1.545
• 蒸汽压0.0±2.4 mmHg at 25°C
• 外观形态粉末
• 储存条件室温，密封保存，通风

MSDS等安全信息

• 危险描述H303May be harmful if swallowed+H313Skin contact may be harmful+H333Inhalation may be harmful to the body
• 防范说明P264+P280+P305+P351+P338+P337+P313
• 危险品标志Xi
• 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
  2905122000-异丙醇
  2905143000-叔丁醇
• 💡 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