CAS: 261768-88-1; (1R,2R,4As,6As,6Br,8Ar,9S,10S,12Ar,12Br,14Bs)-9-Formyl-1,10-Dihydroxy-1,2,6A,6B,9,12A-Hexamethyl-8-Oxo-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,8Ar,9S,10S,12Ar,12Br,14Bs)-9-Formyl-1,10-Dihydroxy-1,2,6A,6B,9,12A-Hexamethyl-8-Oxo-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3,19-二羟基-6,23-二氧代-12-乌苏烯-28-酸
• IUPAC名称(1R,2R,4aS,6aS,6bR,8aR,9S,10S,12aR,12bR,14bS)-9-formyl-1,10-dihydroxy-1,2,6a,6b,9,12a-hexamethyl-8-oxo-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3,19-Dihydroxy-6,23-Dioxo-12-Urs; 3,19-Dihydroxy-6,23-Dioxo-12-Ursen-28-Oic Acid; Urs-12-En-28-Oic Acid, 3,19-Dihydroxy-6,23-Dioxo-, (3β,4α)- (9Ci); 19-Dihydroxy-6; 23-Dioxo-12-Ursen-28-Oic Acid; 3β,19α-Dihydroxy-6,23-Dioxours-12-En-28-Oic Acid
• CAS编号261768-88-1
• MFCD编号:MFCD20274897
• 分子式:C30H44O6分子量:500.68
• 产品CID: 1231946
• 产品分类天然产物 → 萜类

• 相似结构搜索
• 产品信息参考;;;;
• InChIKey: BHHKBYFDFSIXJN-WQMBMQKBSA-N
• InChI=1S/C30H44O6/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/h7,16-17,20-23,33,36H,8-15H2,1-6H3,(H
• 计算化学: 氢键受体数6.0氢键供体数3.0可旋转键数2.0

物理性质

• 沸点646.2±55.0 °C(预测)
• 闪点358.6±28.0 °C
• 密度1.23±0.1 g/cm3(预测)
• pKa:4.44±0.70(预测)
• PSA:111.9
• LogP:4.5624

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
  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