CAS: 381691-22-1; (2R,4Ar,6As,6Br,8Ar,12Ar,12Br,14Bs)-4A-(Hydroxymethyl)-2,6A,6B,9,9,12A-Hexamethyl-10-Oxo-1,2,3,4,4A,5,6,6A,6B,7,8,8A,9,10,11,12,12A,12B,13,14B-Icosahydropicene-2-Carboxylic Acid

• 英文名称(2R,4Ar,6As,6Br,8Ar,12Ar,12Br,14Bs)-4A-(Hydroxymethyl)-2,6A,6B,9,9,12A-Hexamethyl-10-Oxo-1,2,3,4,4A,5,6,6A,6B,7,8,8A,9,10,11,12,12A,12B,13,14B-Icosahydropicene-2-Carboxylic Acid
• 中文名称28-羟基-3-氧代齐墩果-12-烯-29-酸
• IUPAC名称(2R,4aR,6aS,6bR,8aR,12aR,12bR,14bS)-4a-(hydroxymethyl)-2,6a,6b,9,9,12a-hexamethyl-10-oxo-1,2,3,4,4a,5,6,6a,6b,7,8,8a,9,10,11,12,12a,12b,13,14b-icosahydropicene-2-carboxylic acid
• 其它别名28-Hydroxy-3-Oxoolean-12-En-29-Oic Acid; 28-Hydroxy-3-Oxoolean-12-En-29-O; 28-Hydroxy-3-Oxo Oleanol-12 En-29-Acid; Olean-12-En-29-Oic Acid, 28-Hydroxy-3-Oxo-, (20β)-
• CAS编号381691-22-1
• MFCD编号:MFCD26406050
• 分子式:C30H46O4分子量:470.69
• 产品CID: 1392980
• 产品分类天然产物 → 萜类

• 相似结构搜索
• InChIKey: HVLPFRAXQYBRJO-SIBVWYKESA-N
• InChI=1S/C30H46O4/c1-25(2)21-9-12-29(6)22(27(21,4)11-10-23(25)32)8-7-19-20-17-26(3,24(33)34)13-15-30(20,18-31)16-14-28(19,29)5/h7,20-22,31H,8-18H2,1-6H3,(H,33,34)/t20-,21
• 计算化学: 氢键受体数4.0氢键供体数2.0可旋转键数2.0

物理性质

• 沸点582.3±50.0 °C at 760 mmHg
• 闪点320.0±26.6 °C
• 密度1.1±0.1 g/cm3
• pKa:4.70±0.70(预测)
• PSA:74.6
• LogP:6.56
• 折射率1.564
• 蒸汽压0.0±3.7 mmHg at 25°C
• 外观形态粉末
• 储存条件2-8°C，干燥环境，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
• 危险品标志Xi
• 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
  2905121000-正丙醇
  2912110000-甲醛
• 💡 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