CAS: 1207181-58-5; (1R,2S,3R,4S,4As,8Ar)-4-((S)-1-Acetoxy-2-(4-Hydroxy-5-Oxo-2,5-Dihydrofuran-3-yl)Ethyl)-2-(Benzoyloxy)-3-Hydroxy-3,4,8,8A-Tetramethyl-1,2,3,4,4A,5,6,8A-Octahydronaphthalen-1-Yl Nicotinate

• 英文名称(1R,2S,3R,4S,4As,8Ar)-4-((S)-1-Acetoxy-2-(4-Hydroxy-5-Oxo-2,5-Dihydrofuran-3-yl)Ethyl)-2-(Benzoyloxy)-3-Hydroxy-3,4,8,8A-Tetramethyl-1,2,3,4,4A,5,6,8A-Octahydronaphthalen-1-Yl Nicotinate
• 中文名称(1R,2S,3R,4S,4AS,8AR)-4-((S)-1-乙酰氧基-2-(4-羟基-5-氧代-2,5-二氢呋喃-3-基)乙基)-2-(苯甲酰氧基)-3-羟基-3,4,8,8A-四甲基-1,2,3,4,4A,5,6,8A-八氢萘-1-YL烟酸甲酯
• IUPAC名称(1R,2S,3R,4S,4aS,8aR)-4-((S)-1-acetoxy-2-(4-hydroxy-5-oxo-2,5-dihydrofuran-3-yl)ethyl)-2-(benzoyloxy)-3-hydroxy-3,4,8,8a-tetramethyl-1,2,3,4,4a,5,6,8a-octahydronaphthalen-1-yl nicotinate
• 其它别名Scutebata B; 3-Pyridinecarboxylic Acid, (1R,2S,3R,4S,4As,8Ar)-4-[(1S)-1-(Acetyloxy)-2-(2,5-Dihydro-4-Hydroxy-5-Oxo-3-Furanyl)Ethyl]-2-(Benzoyloxy)-1,2,3,4,4A,5,6,8A-Octahydro-3-Hydroxy-3,4,8,8A-Tetramethyl-1-Naphthalenyl Ester
• CAS编号1207181-58-5
• MFCD编号:MFCD20260629
• 分子式:C35H39NO10分子量:633.69
• 产品CID: 277272

• 相似结构搜索
• InChIKey: PMRCLNAMSQXGTL-MJSWBYPNSA-N
• InChI=1S/C35H39NO10/c1-20-11-9-15-25-33(20,3)28(45-31(40)23-14-10-16-36-18-23)29(46-30(39)22-12-7-6-8-13-22)35(5,42)34(25,4)26(44-21(2)37)17-24-19-43-32(41)27(24)38/h6-8,
• 计算化学: 氢键受体数11.0氢键供体数2.0可旋转键数11.0

物理性质

• 沸点797.3±60.0 °C(预测)
• 闪点436.0±32.9 °C
• 密度1.34±0.1 g/cm3(预测)
• pKa:9.09±0.20(预测)
• PSA:158.55
• LogP:4.6568
• 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
  2905143000-叔丁醇
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• 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