54274-73-6 (肾上腺素,nephthene)

肾上腺素(54274-73-6)名称与标识符

名称

英文别名:
nephthene;NAPHTHALENE, 1,2,3,4,4A,5,6,7-OCTAHYDRO-4-METHYL-7-METHYLENE-1-(1-METHYLETHYL)-, (1S,4R,4AS)-;(1S,4R,4aS)-4-methyl-7-methylidene-1-(propan-2-yl)-1,2,3,4,4a,5,6,7-octahydronaphthalene;CHEBI:192967;NAPHTHALENE, 1,2,3,4,4A,5,6,7-OCTAHYDRO-4-METHYL-7-METHYLENE-1-(1-METHYLETHYL)-, (1S-(1.ALPHA.,4.BETA.,4A.BETA.))-;B9ACS6HA3Y;epi-bicyclosesquiphellandrene;1-Epibicyclosesquiphellandrene;(+)-Epi-bicyclosesquiphellandrene;DTXSID901308048;epi-Bicyclosesquiphellandrene, (+)-;54274-73-6;Q67866103;Naphthalene, 1,2,3,4,4a,5,6,7-octahydro-4-methyl-7-methylene-1-(1-methylethyl)-, (1S,4R,4aR)-;1-epi-Bicyclosesquiphellandrene;1-Isopropyl-4-methyl-7-methylene-1,2,3,4,4a,5,6,7-octahydronaphthalene;Bicyclosesquiphellandrene;trans-?Muurola-?4(15)?,?5-?diene;RNDFUOKDULDZPR-UHFFFAOYSA-N;(1S,4R,4aR)-1-Isopropyl-4-methyl-7-methylene-1,2,3,4,4a,5,6,7-octahydronaphthalene;(-)-Bicyclosesquiphellandrene;Naphthalene, 1,2,3,4,4a,5,6,7-octahydro-4-methyl-7-methylene-1-(1-methylethyl)-, [1S-(1.alpha.,4.beta.,4a.alpha.)]-;(1S,4R,4aS)-4-methyl-7-methylidene-1-propan-2-yl-2,3,4,4a,5,6-hexahydro-1H-naphthalene;

标识符

InChIKey:
RNDFUOKDULDZPR-RDBSUJKOSA-N
Inchi:
1S/C15H24/c1-10(2)13-8-6-12(4)14-7-5-11(3)9-15(13)14/h9-10,12-14H,3,5-8H2,1-2,4H3/t12-,13+,14+/m1/s1
SMILES:
[C@@H]12CCC(=C)C=C1[C@H](C(C)C)CC[C@H]2C

肾上腺素(54274-73-6)物化性质

计算特性

  • 精确分子量 : 204.187800766g/mol
  • 氢键供体数量 : 0
  • 氢键受体数量 : 0
  • 可旋转化学键数量 : 1
  • 同位素质量 : 204.187800766g/mol
  • 重原子数量 : 15
  • 复杂度 : 282
  • 同位素原子数量 : 0
  • 确定原子立构中心数量 : 3
  • 不确定原子立构中心数量 : 0
  • 确定化学键立构中心数量 : 0
  • 不确定化学键立构中心数量 : 0
  • 共价键单元数量 : 1
  • 疏水参数计算参考值(XlogP) : 4.7
  • 拓扑分子极性表面积 : 0Ų

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