CAS: 750649-07-1; (2R,2Ar,6As,10S,11R,12Ar,12Bs,12Cr)-10,12B-Dimethyl-13-Oxo-2,2A,3,4,5,6,6A,7,9,10,11,12,12A,12B-Tetradecahydro-1H-11,12C-Methanocyclopenta[8,1]Azuleno[4,5-A]Indolizine-2-Carboxylic Acid

• 英文名称(2R,2Ar,6As,10S,11R,12Ar,12Bs,12Cr)-10,12B-Dimethyl-13-Oxo-2,2A,3,4,5,6,6A,7,9,10,11,12,12A,12B-Tetradecahydro-1H-11,12C-Methanocyclopenta[8,1]Azuleno[4,5-A]Indolizine-2-Carboxylic Acid
• 中文名称(2R,2AR,6AS,10S,11R,12AR,12BS,12CR)-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-1H-11,12C-亚甲基H[8,1]薁NO[4,5-A]中氮茚-2-吡唑羧酸
• IUPAC名称(2R,2aR,6aS,10S,11R,12aR,12bS,12cR)-10,12b-dimethyl-13-oxo-2,2a,3,4,5,6,6a,7,9,10,11,12,12a,12b-tetradecahydro-1H-11,12c-methanocyclopenta[8,1]azuleno[4,5-a]indolizine-2-carboxylic acid
• 其它别名Daphnilongeranin C; De-N-Oxide-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-, (2R,2Ar,6As,8R,10S,11R,12Ar,12Bs,12Cr)- (9Ci)
• CAS编号750649-07-1
• MFCD编号:MFCD20260475
• 分子式:C22H29NO3分子量:355.48
• 产品CID: 1742652
• 产品分类天然产物 → 生物碱

• 相似结构搜索
• InChIKey: JOODVMXQKVRURX-ROEHNZSPSA-N
• InChI=1S/C22H29NO3/c1-11-9-23-10-13-5-3-12-4-6-14-16(20(25)26)8-22(18(12)14)19(24)15(11)7-17(23)21(13,22)2/h11,13-17H,3-10H2,1-2H3,(H,25,26)/t11-,13-,14-,15-,16-,17-,21-,
• 计算化学: 氢键受体数4.0氢键供体数1.0可旋转键数1.0

物理性质

• PSA:57.61
• LogP:3.061

MSDS等安全信息

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• 2901210000-乙烯
  2901220000-丙烯
  2905121000-正丙醇
  2912110000-甲醛
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