CAS: 89786-83-4; (1S,2R,4As,6As,6Br,8Ar,9S,10S,11R,12Ar,12Br,14Bs)-10,11-Dihydroxy-9-(Hydroxymethyl)-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,9S,10S,11R,12Ar,12Br,14Bs)-10,11-Dihydroxy-9-(Hydroxymethyl)-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,3α,24-三羟基乌苏-12-烯-28-酸
• IUPAC名称(1S,2R,4aS,6aS,6bR,8aR,9S,10S,11R,12aR,12bR,14bS)-10,11-dihydroxy-9-(hydroxymethyl)-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2,3,24-Trihydroxy-12-Ursen-28-Oi; 2,3,24-Trihydroxy-12-Ursen-28-Oic Acid; 2Alpha,3Alpha,24-Trihydroxyurs-12-En-28-Oic Acid; Urs-12-En-28-Oic Acid, 2,3,23-Trihydroxy-, (2α,3α,4β)-; 24-Trihydroxy-12-Ursen-28-Oic Acid; 2α,3α,24-Trihydroxyurs-12-En-28-Oic Acid; 24-Trihydroxyurs-12-En-28-Oic Acid
• CAS编号89786-83-4
• MFCD编号:MFCD07779128
• 分子式:C30H48O5
• 分子量:488.71
• 产品CID: 1919488
• 产品分类天然产物 → 萜类

• 相似结构搜索
• 产品信息参考;;;;
• InChIKey: JXSVIVRDWWRQRT-UMCOSQRYSA-N
• InChI=1S/C30H48O5/c1-17-9-12-30(25(34)35)14-13-28(5)19(23(30)18(17)2)7-8-22-26(3)15-20(32)24(33)27(4,16-31)21(26)10-11-29(22,28)6/h7,17-18,2…
• 计算化学: 氢键受体数5.0氢键供体数4.0可旋转键数2.0

物理性质

• 熔点288-290 °C(溶剂: methanol (67-56-1))
• 沸点609.4±55.0 °C(预测)
• 闪点336.4±28.0 °C
• 密度1.18±0.1 g/cm3(预测)
• pKa:4.66±0.70(预测)
• PSA:97.99
• LogP:5.0327
• 折射率1.579
• 储存条件存储条件:2-8°C,干燥,密闭.

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

上下游产品

合成工艺路线路线简述

• 110325-76-3 = 89786-83-4
  反应条件:1.1 Reagents: Potassium Hydroxide Solvents: Water
  标题:Isolation And Identification Of Two New Triterpenes From Actinidia Eriantha
  作者:Huang,Chusheng; Zhang,Zhuangxin; Li,Gansun; Zhou,Jun
  参考文献:Yunnan Zhiwu Yanjiu 日期:1988 卷标:10(1) 页码:93-100

海关参考信息

• 2901210000-乙烯
  2901220000-丙烯
  2905122000-异丙醇
  2905310000-1,2-乙二醇
• 💡 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