CAS: 596799-30-3; (2R,2Ar,6As,10S,11R,12Ar,12Bs,12Cr)-2-(Methoxycarbonyl)-10,12B-Dimethyl-13-Oxo-2,2A,3,4,5,6,6A,7,9,10,11,12,12A,12B-Tetradecahydro-11,12C-Methanocyclopenta[8,1]Azuleno[4,5-A]Indolizine 8(1H)-Oxide

• 英文名称(2R,2Ar,6As,10S,11R,12Ar,12Bs,12Cr)-2-(Methoxycarbonyl)-10,12B-Dimethyl-13-Oxo-2,2A,3,4,5,6,6A,7,9,10,11,12,12A,12B-Tetradecahydro-11,12C-Methanocyclopenta[8,1]Azuleno[4,5-A]Indolizine 8(1H)-Oxide
• 中文名称(2R,2AR,6AS,10S,11R,12AR,12BS,12CR)-2-(甲氧羰基)-10,12B-二甲基-13-氧代-2,2A,3,4,5,6,6A,7,9,10,11,12,12A,12B-四十氢-11,12C-亚甲基H[8,1]薁NO[4,5-A]中氮茚8(1H)-氧化物
• IUPAC名称(2R,2aR,6aS,10S,11R,12aR,12bS,12cR)-2-(methoxycarbonyl)-10,12b-dimethyl-13-oxo-2,2a,3,4,5,6,6a,7,9,10,11,12,12a,12b-tetradecahydro-11,12c-methanocyclopenta[8,1]azuleno[4,5-a]indolizine 8(1H)-oxide
• 其它别名Calyciphylline A; 1H-11,12C-Methanocyclopent[1,8]Azuleno[4,5-A]Indolizine-2-Carboxylic Acid, 2,2A,3,4,5,6,6A,7,9,10,11,12,12A,12B-Tetradecahydro-10,12B-Dimethyl-13-Oxo-, Methyl Ester, 8-Oxide, (2R,2Ar,6As,8R,10S,11R,12Ar,12Bs,12Cr)-Rel-
• CAS编号596799-30-3
• MFCD编号:MFCD20260881
• 分子式:C23H31NO4分子量:385.5
• 产品CID: 1573506

• 相似结构搜索
• InChIKey: DLTJWHRTAHFESH-IGJFRSLJSA-N
• InChI=1S/C23H31NO4/c1-12-10-24(27)11-14-6-4-13-5-7-15-17(21(26)28-3)9-23(19(13)15)20(25)16(12)8-18(24)22(14,23)2/h12,14-18H,4-11H2,1-3H3/t12-,14-,15-,16-,17-,18-,22-,23+,
• 计算化学: 氢键受体数4.0氢键供体数0.0可旋转键数2.0

物理性质

• pKa:4.68±0.70(预测)
• PSA:72.8
• LogP:3.1829
• 溶解性Soluble in Chloroform,Dichloromethane,Ethyl Acetate,DMSO,Acetone,etc.
• 外观形态粉末

MSDS等安全信息

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
  2912110000-甲醛
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