CAS: 143773-52-8; (1S,2R,4As,6As,6Br,8Ar,9R,10R,11R,12Ar,12Br,14Bs)-11-Hydroxy-9-(Hydroxymethyl)-10-(((E)-3-(4-Hydroxyphenyl)Acryloyl)Oxy)-1,2,6A,6B,9,12A-Hexamethyl-1,3,4,5,6,6A,6B,7,8,8A,9,10,11,12,12A,12B,13,14B-Octadecahydropicene-4A(2H)-Carboxylic Acid

• 英文名称(1S,2R,4As,6As,6Br,8Ar,9R,10R,11R,12Ar,12Br,14Bs)-11-Hydroxy-9-(Hydroxymethyl)-10-(((E)-3-(4-Hydroxyphenyl)Acryloyl)Oxy)-1,2,6A,6B,9,12A-Hexamethyl-1,3,4,5,6,6A,6B,7,8,8A,9,10,11,12,12A,12B,13,14B-Octadecahydropicene-4A(2H)-Carboxylic Acid
• 中文名称[2α,3β(E),4α]-2,23-二羟基-3-[[3-(4-羟基苯基)-1-氧代-2-丙烯基]氧基]-乌苏-12-烯-28-酸
• IUPAC名称(1S,2R,4aS,6aS,6bR,8aR,9R,10R,11R,12aR,12bR,14bS)-11-hydroxy-9-(hydroxymethyl)-10-(((E)-3-(4-hydroxyphenyl)acryloyl)oxy)-1,2,6a,6b,9,12a-hexamethyl-1,3,4,5,6,6a,6b,7,8,8a,9,10,11,12,12a,12b,13,14b-octadecahydropicene-4a(2H)-carboxylic acid
• 其它别名3-O-Coumaroylasiatic Acid; [2Alpha,3Beta(E),4Alpha]-2,23-Dihydroxy-3-[[3-(4-Hydroxyphenyl)-1-Oxo-2-Propenyl]Oxy]-Urs-12-En-28-Oic Acid; Urs-12-En-28-Oic Acid, 2,23-Dihydroxy-3-[[(2E)-3-(4-Hydroxyphenyl)-1-Oxo-2-Propen-1-Yl]Oxy]-, (2α,3β,4α)-
• CAS编号143773-52-8
• 分子式:C39H54O7分子量:634.85
• 产品CID: 666726
• 产品分类天然产物 → 萜类

• 相似结构搜索
• InChIKey: WKVZBLIEJQJTCN-KJVBOBAHSA-N
• InChI=1S/C39H54O7/c1-23-15-18-39(34(44)45)20-19-37(5)27(32(39)24(23)2)12-13-30-35(3)21-28(42)33(36(4,22-40)29(35)16-17-38(30,37)6)46-31(43)14-9-25-7-10-26(41)11-8-25/h7-1
• 计算化学: 氢键受体数7.0氢键供体数4.0可旋转键数6.0

物理性质

• 沸点751.8±60.0 °C(预测)
• 闪点226.8±26.4 °C
• 密度1.23±0.1 g/cm3(预测)
• pKa:4.65±0.70(预测)
• PSA:124.29
• LogP:7.0026

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
• 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