CAS: 310433-44-4; (4Ar,5S,6R,8Ar)-5,6,8A-Trimethyl-5-(2-(2-Oxo-2,5-Dihydro-1H-Pyrrol-3-yl)Ethyl)-3,4,4A,5,6,7,8,8A-Octahydronaphthalene-1-Carboxylic Acid

• 英文名称(4Ar,5S,6R,8Ar)-5,6,8A-Trimethyl-5-(2-(2-Oxo-2,5-Dihydro-1H-Pyrrol-3-yl)Ethyl)-3,4,4A,5,6,7,8,8A-Octahydronaphthalene-1-Carboxylic Acid
• 中文名称(4AR,5S,6R,8AR)-5,6,8A-三甲基-5-(2-(2-氧代-2,5-二氢-1H-吡咯-3-基)乙基)-3,4,4A,5,6,7,8,8A-八氢萘-1-吡唑羧酸
• IUPAC名称(4aR,5S,6R,8aR)-5,6,8a-trimethyl-5-(2-(2-oxo-2,5-dihydro-1H-pyrrol-3-yl)ethyl)-3,4,4a,5,6,7,8,8a-octahydronaphthalene-1-carboxylic acid
• 其它别名Echiphyllin C; Echinophyllin C; (4Ar,5S,6R,8Ar)-5-[2-(2,5-Dihydro-2-Oxo-1H-Pyrrol-3-Yl)Ethyl]-3,4,4A,5,6,7,8,8A-Octahydro-5,6,8A-Trimethyl-1-Naphthalenecarboxylic Acid; Echinophylline C; 1-Naphthalenecarboxylic Acid, 5-[2-(2,5-Dihydro-2-Oxo-1H-Pyrrol-3-Yl)Ethyl]-3,4,4A,5,6,7,8,8A-Octahydro-5,6,8A-Trimethyl-, (4Ar,5S,6R,8Ar)-
• CAS编号310433-44-4
• MFCD编号:MFCD20260621
• 分子式:C20H29NO3分子量:331.46
• 产品CID: 1298012
• 产品分类天然产物 → 萜类

• 相似结构搜索
• 产品信息参考
• InChIKey: SMVIBINEORXRIL-MPRPZVOOSA-N
• InChI=1S/C20H29NO3/c1-13-7-10-20(3)15(18(23)24)5-4-6-16(20)19(13,2)11-8-14-9-12-21-17(14)22/h5,9,13,16H,4,6-8,10-12H2,1-3H3,(H,21,22)(H,23,24)/t13-,16-,19+,20+/m1/s1
• 计算化学: 氢键受体数3.0氢键供体数2.0可旋转键数4.0

物理性质

• 沸点529.3±42.0 °C(预测)
• 闪点273.9±27.9 °C
• 密度1.100±0.06 g/cm3(预测)
• pKa:4.85±0.70(预测)
• PSA:66.4
• LogP:4.0151
• 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
• 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
  2905130000-正丁醇
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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