CAS: 210108-88-6; (2R,3R,3As,4R,6S,7S,8S,12S,13S,13Ar,E)-3-(Benzoyloxy)-7,13A-Dihydroxy-6-(Isobutyryloxy)-2,9,9,12-Tetramethyl-5-Methylene-2,3,3A,4,5,6,7,8,9,12,13,13A-Dodecahydro-1H-Cyclopenta[12]Annulene-2,4,8,13-Tetrayl Tetraacetate

• 英文名称(2R,3R,3As,4R,6S,7S,8S,12S,13S,13Ar,E)-3-(Benzoyloxy)-7,13A-Dihydroxy-6-(Isobutyryloxy)-2,9,9,12-Tetramethyl-5-Methylene-2,3,3A,4,5,6,7,8,9,12,13,13A-Dodecahydro-1H-Cyclopenta[12]Annulene-2,4,8,13-Tetrayl Tetraacetate
• 中文名称2,5,9,14-四乙酰氧基-3-苯甲酰基氧基-8,15-二羟基-7-异丁酰氧基-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)-7,13a-dihydroxy-6-(isobutyryloxy)-2,9,9,12-tetramethyl-5-methylene-2,3,3a,4,5,6,7,8,9,12,13,13a-dodecahydro-1H-cyclopenta[12]annulene-2,4,8,13-tetrayl tetraacetate
• 其它别名Jatrophane 4; 2,5,9,14-Tetraacetoxy-3-Benzoyloxy-8,15-Dihydroxy-7-Isobutyroyloxyjatropha-6(17),11E-Diene; 2,5,9,14-Tetraacetoxy-3-Isobutyroyloxyjatropha-6(17),11E-Benzoyloxy-8,15-Dihydroxy-7-Diene; Propanoic Acid, 2-Methyl-, (2R,3R,3As,4R,6S,7S,8S,10E,12S,13S,13Ar)-2,4,8,13-Tetrakis(Acetyloxy)-3-(Benzoyloxy)-2,3,3A,4,5,6,7,8,9,12,13,13A-Dodecahydro-7,13A-Dihydroxy-2,9,9,12-Tetramethyl-5-Methylene-1H-Cyclopentacyclododecen-6-Yl Ester
• CAS编号210108-88-6
• MFCD编号:MFCD20275211
• 分子式:C39H52O14分子量:744.83
• 产品CID: 1086526
• 产品分类天然产物 → 萜类

• 相似结构搜索
• 产品信息参考;;;;
• InChIKey: WITHKWWZWFNDND-WZUBBBPASA-N
• InChI=1S/C39H52O14/c1-20(2)35(45)51-31-22(4)30(48-23(5)40)28-33(52-36(46)27-15-13-12-14-16-27)38(11,53-26(8)43)19-39(28,47)32(49-24(6)41)21(3)17-18-37(9,10)34(29(31)44)50
• 计算化学: 氢键受体数14.0氢键供体数2.0可旋转键数14.0

物理性质

• 沸点736.3±60.0 °C at 760 mmHg
• 闪点212.2±26.4 °C
• 密度1.3±0.1 g/cm3
• PSA:198.26
• LogP:5.33
• 折射率1.549
• 蒸汽压0.0±2.5 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