CAS: 226562-47-6; (6Ar,6Bs,8As,12Ar,14Ar,14Br)-3-Hydroxy-4,6A,6B,11,11,14B-Hexamethyl-2,3,4,4A,5,6,6A,6B,7,8,9,10,11,12,12A,14,14A,14B-Octadecahydropicene-4,8A(1H)-Dicarboxylic Acid

• 英文名称(6Ar,6Bs,8As,12Ar,14Ar,14Br)-3-Hydroxy-4,6A,6B,11,11,14B-Hexamethyl-2,3,4,4A,5,6,6A,6B,7,8,9,10,11,12,12A,14,14A,14B-Octadecahydropicene-4,8A(1H)-Dicarboxylic Acid
• 中文名称3-羟基-12-齐墩果烯-23,28-二酸
• IUPAC名称(6aR,6bS,8aS,12aR,14aR,14bR)-3-hydroxy-4,6a,6b,11,11,14b-hexamethyl-2,3,4,4a,5,6,6a,6b,7,8,9,10,11,12,12a,14,14a,14b-octadecahydropicene-4,8a(1H)-dicarboxylic acid
• 其它别名3-Hydroxy-12-Oleanene-23,28-Dioic Acid; 3-Hydroxy-12 Oleanolic Acid-23,28-Diacid; Olean-12-Ene-23,28-Dioic Acid, 3-Hydroxy-, (3α,4α)-; 3α-Hydroxyolean-12-Ene-23,28-Dioic Acid
• CAS编号226562-47-6
• MFCD编号:MFCD20260851
• 分子式:C30H46O5分子量:486.69
• 产品CID: 1165060
• 产品分类天然产物 → 萜类

• 相似结构搜索
• InChIKey: PAIBKVQNJKUVCE-QPHRCCSXSA-N
• InChI=1S/C30H46O5/c1-25(2)13-15-30(24(34)35)16-14-27(4)18(19(30)17-25)7-8-20-26(3)11-10-22(31)29(6,23(32)33)21(26)9-12-28(20,27)5/h7,19-22,31H,8-17H2,1-6H3,(H,32,33)(H,34
• 计算化学: 氢键受体数5.0氢键供体数3.0可旋转键数2.0

物理性质

• 沸点619.2±55.0 °C(预测)
• 闪点342.3±28.0 °C
• 密度1.19±0.1 g/cm3(预测)
• pKa:4.48±0.70(预测)
• PSA:94.83
• LogP:6.2983
• 溶解性Soluble in Chloroform,Dichloromethane,Ethyl Acetate,DMSO,Acetone,etc.
• 外观形态粉末

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
  2905399001-1,3-丙二醇
• 💡 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