CAS: 1207181-63-2; (3S,4Ar,5S,6R,6Ar,10R,10As,10Br)-4A,6A,7,10B-Tetramethyl-6-(Nicotinoyloxy)-5'-Oxo-1,2,4A,4',5,5',6,6A,9,10,10A,10B-Dodecahydro-2'H-Spiro[benzo[f]Chromene-3,3'-Furan]-5,10-Diyl Dibenzoate

• 英文名称(3S,4Ar,5S,6R,6Ar,10R,10As,10Br)-4A,6A,7,10B-Tetramethyl-6-(Nicotinoyloxy)-5'-Oxo-1,2,4A,4',5,5',6,6A,9,10,10A,10B-Dodecahydro-2'H-Spiro[benzo[f]Chromene-3,3'-Furan]-5,10-Diyl Dibenzoate
• 中文名称(3S,4AR,5S,6R,6AR,10R,10AS,10BR)-4A,6A,7,10B-四甲基-6-(吡啶氧)-5'-氧代-1,2,4A,4',5,5',6,6A,9,10,10A,10B-DO十氢-2'H-.[苯甲酸[F]H-3,3'-呋喃]-5,10-二基DI苯甲酸甲酯
• IUPAC名称(3S,4aR,5S,6R,6aR,10R,10aS,10bR)-4a,6a,7,10b-tetramethyl-6-(nicotinoyloxy)-5'-oxo-1,2,4a,4',5,5',6,6a,9,10,10a,10b-dodecahydro-2'H-spiro[benzo[f]chromene-3,3'-furan]-5,10-diyl dibenzoate
• 其它别名Scutebata G; 3-Pyridinecarboxylic Acid, (3S,4'Ar,5'S,6'R,6'Ar,10'R,10'As,10'Br)-5',10'-Bis(Benzoyloxy)-1',2',4'A,5',6',6'A,9',10',10'A,10'B-Decahydro-4'A,6'A,7',10'B-Tetramethyl-5-Oxospiro[furan-3(2H),3'-[3H]Naphtho[2,1-B]Pyran]-6'-Yl Ester
• CAS编号1207181-63-2
• MFCD编号:MFCD20274621
• 分子式:C40H41NO9分子量:679.77
• 产品CID: 277280

• 相似结构搜索
• InChIKey: GREIZWACRDERNJ-RXCLYVCLSA-N
• InChI=1S/C40H41NO9/c1-25-17-18-29(47-34(43)26-12-7-5-8-13-26)31-37(2)19-20-40(22-30(42)46-24-40)50-39(37,4)33(49-35(44)27-14-9-6-10-15-27)32(38(25,31)3)48-36(45)28-16-11-
• 计算化学: 氢键受体数10.0氢键供体数0.0可旋转键数9.0

物理性质

• 沸点775.0±60.0 °C(预测)
• 闪点422.5±32.9 °C
• 密度1.32±0.1 g/cm3(预测)
• pKa:3.08±0.10(预测)
• PSA:127.32
• LogP:6.3054
• 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