CAS: 1207181-62-1; (3S,4Ar,5S,6R,6Ar,10R,10As,10Br)-4A,6A,7,10B-Tetramethyl-10-(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]-5,6-Diyl Diacetate

• 英文名称(3S,4Ar,5S,6R,6Ar,10R,10As,10Br)-4A,6A,7,10B-Tetramethyl-10-(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]-5,6-Diyl Diacetate
• 中文名称(3S,4AR,5S,6R,6AR,10R,10AS,10BR)-4A,6A,7,10B-四甲基-10-(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]-5,6-二基二乙酸酯
• IUPAC名称(3S,4aR,5S,6R,6aR,10R,10aS,10bR)-4a,6a,7,10b-tetramethyl-10-(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]-5,6-diyl diacetate
• 其它别名Barbatine C; Scutebata F; 3-Pyridinecarboxylic Acid, (3S,4'Ar,5'S,6'R,6'Ar,10'R,10'As,10'Br)-5',6'-Bis(Acetyloxy)-1',2',4,4'A,5,5',6',6'A,9',10',10'A,10'B-Dodecahydro-4'A,6'A,7',10'B-Tetramethyl-5-Oxospiro[furan-3(2H),3'-[3H]Naphtho[2,1-B]Pyran]-10'-Yl Ester
• CAS编号1207181-62-1
• MFCD编号:MFCD20260612
• 分子式:C30H37NO9分子量:555.62
• 产品CID: 277278

• 相似结构搜索
• InChIKey: NVJGRPGPCIYGRC-LZUUMNQWSA-N
• InChI=1S/C30H37NO9/c1-17-9-10-21(39-26(35)20-8-7-13-31-15-20)23-27(4)11-12-30(14-22(34)36-16-30)40-29(27,6)25(38-19(3)33)24(28(17,23)5)37-18(2)32/h7-9,13,15,21,23-25H,10-
• 计算化学: 氢键受体数10.0氢键供体数0.0可旋转键数7.0

物理性质

• 熔点130-132 °C
• 沸点650.4±55.0 °C(预测)
• 闪点347.1±31.5 °C
• 密度1.29±0.1 g/cm3(预测)
• pKa:3.08±0.10(预测)
• PSA:127.32
• LogP:3.7176
• 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
• 💡 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