CAS: 1092555-02-6; (6As,10S,11R,12Ar,12Bs,12Cr)-2-(Methoxycarbonyl)-10,12B-Dimethyl-13-Oxo-3,4,5,6,6A,7,9,10,11,12,12A,12B-Dodecahydro-11,12C-Methanocyclopenta[8,1]Azuleno[4,5-A]Indolizine 8(1H)-Oxide

• 英文名称(6As,10S,11R,12Ar,12Bs,12Cr)-2-(Methoxycarbonyl)-10,12B-Dimethyl-13-Oxo-3,4,5,6,6A,7,9,10,11,12,12A,12B-Dodecahydro-11,12C-Methanocyclopenta[8,1]Azuleno[4,5-A]Indolizine 8(1H)-Oxide
• 中文名称(6AS,10S,11R,12AR,12BS,12CR)-2-(甲氧羰基)-10,12B-二甲基-13-氧代-3,4,5,6,6A,7,9,10,11,12,12A,12B-DO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(6aS,10S,11R,12aR,12bS,12cR)-2-(methoxycarbonyl)-10,12b-dimethyl-13-oxo-3,4,5,6,6a,7,9,10,11,12,12a,12b-dodecahydro-11,12c-methanocyclopenta[8,1]azuleno[4,5-a]indolizine 8(1H)-oxide
• 其它别名Paxiphylline D; Longistylumphylline A N-Oxide; 1H-11,12C-Methanocyclopent[1,8]Azuleno[4,5-A]Indolizine-2-Carboxylic Acid, 3,4,5,6,6A,7,9,10,11,12,12A,12B-Dodecahydro-10,12B-Dimethyl-13-Oxo-, Methyl Ester, 8-Oxide, (6As,8R,10S,11R,12Ar,12Bs,12Cr)-
• CAS编号1092555-02-6
• MFCD编号:MFCD20261049
• 分子式:C23H29NO4分子量:383.49
• 产品CID: 128592

• 相似结构搜索
• InChIKey: KGESJSJJGMUDSQ-SUEJIMSPSA-N
• InChI=1S/C23H29NO4/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/h12,14,16,18H,4-11H2,1-3H3/t12-,14-,16-,18-,22-,23+,24 /m
• 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:3.07±0.70(预测)
• PSA:72.8
• LogP:3.2471

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
  2901241000-1,3-丁二烯
  2905121000-正丙醇
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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

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