CAS: 91095-51-1; (1R,2R,4As,6As,6Br,12Ar,12Br,14Bs)-1,8,10-Trihydroxy-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(1R,2R,4As,6As,6Br,12Ar,12Br,14Bs)-1,8,10-Trihydroxy-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3,6,19,23-四羟基-12-熊果-28-酸
• IUPAC名称(1R,2R,4aS,6aS,6bR,12aR,12bR,14bS)-1,8,10-trihydroxy-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3,6,19,23-Tetrahydroxy-12-Ursen-28-Oic Acid; 3β,6β,19α,23-Tetrahydroxyurs-12-En-28-Oic Acid; Urs-12-En-28-Oic Acid, 3,6,19,23-Tetrahydroxy-, (3β,4α,6β)-
• CAS编号91095-51-1
• MFCD编号:MFCD20260723
• 分子式:C30H48O6分子量:504.71
• 产品CID: 1945732
• 产品分类天然产物 → 萜类

• 相似结构搜索
• 产品信息参考;;;;
• InChIKey: HORZOECJYCGUOG-KNOXKUGQSA-N
• InChI=1S/C30H48O6/c1-17-9-12-30(24(34)35)14-13-27(4)18(22(30)29(17,6)36)7-8-20-25(2)11-10-21(33)26(3,16-31)23(25)19(32)15-28(20,27)5/h7,17,19-23,31-33,36H,8-16H2,1-6H3,(H
• 计算化学: 氢键受体数6.0氢键供体数5.0可旋转键数2.0

物理性质

• 沸点655.4±55.0 °C(预测)
• 闪点364.1±28.0 °C
• 密度1.23±0.1 g/cm3(预测)
• pKa:4.44±0.70(预测)
• PSA:118.22
• LogP:4.1476
• 溶解性Soluble in Chloroform,Dichloromethane,Ethyl Acetate,DMSO,Acetone,etc.
• 外观形态粉末

MSDS等安全信息

• GHS符号GHS07
• 警示词Warning
• 危险描述H302-H315-H319-H335
• 防范说明P261-P305+P351+P338
• 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
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• 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