CAS: 1042143-83-8; 2-Hydroxy-8-(2-(9-Isopropyl-6A-Methyldodecahydro-10Ah-3A,10,6-(Epinitrilomethano)Benzo[e]Azulen-10A-yl)Ethyl)-1,5-Dimethyl-6-Oxabicyclo[3.2.1]Octan-7-One

• 英文名称2-Hydroxy-8-(2-(9-Isopropyl-6A-Methyldodecahydro-10Ah-3A,10,6-(Epinitrilomethano)Benzo[e]Azulen-10A-yl)Ethyl)-1,5-Dimethyl-6-Oxabicyclo[3.2.1]Octan-7-One
• 中文名称2-羟基-8-(2-(9-异丙基-6A-甲基十氢-10AH-3A,10,6-(表腈...亚甲基)苯甲酸[E]薁N-10A-基)乙基)-1,5-二甲基-6-.[3.2.1]辛烷-7-酮
• IUPAC名称2-hydroxy-8-(2-(9-isopropyl-6a-methyldodecahydro-10aH-3a,10,6-(epinitrilomethano)benzo[e]azulen-10a-yl)ethyl)-1,5-dimethyl-6-oxabicyclo[3.2.1]octan-7-one
• 其它别名Yunnandaphninine G; 6-Oxabicyclo[3.2.1]Octan-7-One, 2-Hydroxy-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]-, (1S,2S,5S,8R)-
• CAS编号1042143-83-8
• MFCD编号:MFCD20260956
• 分子式:C30H47NO3分子量:469.71
• 产品CID: 80490

• 相似结构搜索
• InChIKey: RBVPIMQHYHLJGS-UHFFFAOYSA-N
• InChI=1S/C30H47NO3/c1-18(2)20-9-13-26(3)19-8-15-29-12-6-7-22(29)30(26,24(20)31(29)17-19)16-10-21-27(4)14-11-23(32)28(21,5)25(33)34-27/h18-24,32H,6-17H2,1-5H3
• 计算化学: 氢键受体数4.0氢键供体数1.0可旋转键数4.0

物理性质

• 沸点580.1±25.0 °C(预测)
• 密度1.17±0.1 g/cm3(预测)
• pKa:14.50±0.70(预测)
• PSA:49.77
• LogP:5.5026

MSDS等安全信息

合成工艺路线路线简述

海关参考信息

• 2905122000-异丙醇
  2905399001-1,3-丙二醇
  2905399002-1,4-丁二醇
  2905141000-异丁醇
  2905142000-仲丁醇
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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

• ➥ 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