CAS: 769928-72-5; (1S,4Ar,5S,8Ar)-5-(2-(5-Methoxy-2-Oxo-2,5-Dihydrofuran-3-yl)Ethyl)-1,4A-Dimethyl-6-Methylenedecahydronaphthalene-1-Carboxylic Acid

• 英文名称(1S,4Ar,5S,8Ar)-5-(2-(5-Methoxy-2-Oxo-2,5-Dihydrofuran-3-yl)Ethyl)-1,4A-Dimethyl-6-Methylenedecahydronaphthalene-1-Carboxylic Acid
• 中文名称15-甲氧基松柏酸
• IUPAC名称(1S,4aR,5S,8aR)-5-(2-(5-methoxy-2-oxo-2,5-dihydrofuran-3-yl)ethyl)-1,4a-dimethyl-6-methylenedecahydronaphthalene-1-carboxylic acid
• 其它别名15-Methoxypinusolidic Acid; (1S,4~{a}R,5S,8~{a}R)-5-[2-(2-Methoxy-5-Oxo-2~{h}-Furan-4-Yl)Ethyl]-1,4~{a}-Dimethyl-6-Methylidene-3,4,5,7,8,8~{a}-Hexahydro-2~{h}-Naphthalene-1-Carboxylic Acid; 15-Methoxyconiferous Acid; 1-Naphthalenecarboxylic Acid, 5-[2-(2,5-Dihydro-5-Methoxy-2-Oxo-3-Furanyl)Ethyl]Decahydro-1,4A-Dimethyl-6-Methylene-, (1S,4Ar,5S,8Ar)-
• CAS编号769928-72-5
• MFCD编号:MFCD20260775
• 分子式:C21H30O5分子量:362.47
• 产品CID: 1762424
• 产品分类天然产物 → 萜类

• 相似结构搜索
• InChIKey: OREKSZUASHFFQA-OBNOUSFBSA-N
• InChI=1S/C21H30O5/c1-13-6-9-16-20(2,10-5-11-21(16,3)19(23)24)15(13)8-7-14-12-17(25-4)26-18(14)22/h12,15-17H,1,5-11H2,2-4H3,(H,23,24)/t15-,16+,17 ,20+,21-/m0/s1
• 计算化学: 氢键受体数5.0氢键供体数1.0可旋转键数5.0

物理性质

• 沸点531.4±50.0 °C at 760 mmHg
• 闪点182.8±23.6 °C
• 密度1.2±0.1 g/cm3
• pKa:4.67±0.60(预测)
• PSA:72.83
• LogP:3.38
• 折射率1.538
• 蒸汽压0.0±3.0 mmHg at 25°C
• 溶解性Soluble in Chloroform,Dichloromethane,Ethyl Acetate,DMSO,Acetone,etc.
• 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
  2909110000-乙醚
• 💡 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