CAS: 39729-21-0; (1R,5R)-7-Hydroxy-8-(2-((3Ar,6S,6As,9R,10S,10As,10Bs,11R)-9-Isopropyl-6A-Methyldodecahydro-10Ah-3A,10,6-(Epinitrilomethano)Benzo[e]Azulen-10A-yl)Ethyl)-1,5-Dimethyl-6-Oxabicyclo[3.2.1]Octan-2-Yl Acetate

• 英文名称(1R,5R)-7-Hydroxy-8-(2-((3Ar,6S,6As,9R,10S,10As,10Bs,11R)-9-Isopropyl-6A-Methyldodecahydro-10Ah-3A,10,6-(Epinitrilomethano)Benzo[e]Azulen-10A-yl)Ethyl)-1,5-Dimethyl-6-Oxabicyclo[3.2.1]Octan-2-Yl Acetate
• 中文名称交让木定
• IUPAC名称(1R,5R)-7-hydroxy-8-(2-((3aR,6S,6aS,9R,10S,10aS,10bS,11R)-9-isopropyl-6a-methyldodecahydro-10aH-3a,10,6-(epinitrilomethano)benzo[e]azulen-10a-yl)ethyl)-1,5-dimethyl-6-oxabicyclo[3.2.1]octan-2-yl acetate
• 其它别名Daphmacropodine; 6-Oxabicyclo[3.2.1]Octane-2,7-Diol, 1,5-Dimethyl-8-[2-[(3Ar,4S,4As,5R,8S,8Ar,8Bs,10S)-Octahydro-8-Methyl-5-(1-Methylethyl)-4,8,3A-[1,2,4]Butanetriylcyclopent[b]Indol-8A(4Ah)-Yl]Ethyl]-, 2-Acetate, (1R,2R,5R,7R,8S)-; (1S,2S,5S,7R,8R)-7-Hydroxy-8-{2-[(1S,2R,3S,7R,10S,13S,14R)-14-Isopropyl-1-Methyl-12-Azapentacyclo[8.6.0.0Sup2,13Sup.0Sup3,7Sup.0Sup7,12Sup]Hexadec-2-Yl]Ethyl}-1,5-Dimethyl-6-Oxabicyclo[3.2.1]Oct-2-Ylacetate
• CAS编号39729-21-0
• MFCD编号:MFCD20274581
• 分子式:C32H51NO4分子量:513.76
• 产品CID: 1409022
• 产品分类天然产物 → 生物碱

• 相似结构搜索
• 产品信息参考;;;;
• InChIKey: QCDMEBFUPVLRNE-JPCAOLIDSA-N
• InChI=1S/C32H51NO4/c1-19(2)22-10-14-28(4)21-9-16-31-13-7-8-24(31)32(28,26(22)33(31)18-21)17-11-23-29(5)15-12-25(36-20(3)34)30(23,6)27(35)37-29/h19,21-27,35H,7-18H2,1-6H3/
• 计算化学: 氢键受体数5.0氢键供体数1.0可旋转键数6.0

物理性质

• 熔点214-215 °C
• 沸点573.2±40.0 °C at 760 mmHg
• 闪点300.5±27.3 °C
• 密度1.2±0.1 g/cm3
• pKa:12.93±0.70(预测)
• PSA:59.0
• LogP:6.35
• 折射率1.573
• 蒸汽压0.0±3.6 mmHg at 25°C
• 溶解性Soluble in Chloroform,Dichloromethane,Ethyl Acetate,DMSO,Acetone,etc.
• 外观形态粉末
• 储存条件2-8°C，干燥环境，密闭

MSDS等安全信息

• 危险品标志Xi

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海关参考信息

• 2905122000-异丙醇
  2905143000-叔丁醇
  2905399001-1,3-丙二醇
  2905399002-1,4-丁二醇
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