5948-27-6 (沙努丁,Chanootin)

结构式:
CAS号:
5948-27-6
中文名称:
沙努丁
英文名称:
Chanootin
分子式:
C15H18O3
分子量:
246.302186803392

沙努丁(5948-27-6)名称与标识符

名称

英文别名:
6(1H)-Azulenone,2,3-dihydro-1,7-dihydroxy-1-methyl-3-(2-methyl-1-propen-1-yl)-, (1R,3S)-rel-;Chanootin;6(1H)-Azulenone, 2,3-dihydro-1,7-dihydroxy-1-methyl-3-(2-methyl-1-propenyl)-,trans-;6(1H)-Azulenone,2,3-dihydro-1,7-dihydroxy-1-methyl-3-(2-methyl-1-propenyl)-, (1R,3S)-rel-(9CI);6(1H)-Azulenone,2,3-dihydro-1,7-dihydroxy-1-methyl-3-(2-methyl-1-propenyl)-, trans-(?à)-;6(1H)-Azulenone,2,3-dihydro-1,7-dihydroxy-1-methyl-3-(2-methylpropenyl)- (7CI,8CI);Chanootine;6(1H)-Azulenone, 2,3-dihydro-1,7-dihydroxy-1-methyl-3-(2-methyl-1-propen-1-yl)-, (1R,3S)-rel-;

标识符

InChIKey:
RVSUBOUBGSVZRG-MEBBXXQBSA-N
Inchi:
1S/C15H18O3/c1-9(2)6-10-8-15(3,18)12-7-14(17)13(16)5-4-11(10)12/h4-7,10,18H,8H2,1-3H3,(H,16,17)/t10-,15-/m1/s1
SMILES:
[C@]1(O)(C)C2=C(C=CC(=O)C(O)=C2)[C@H](/C=C(/C)\C)C1

沙努丁(5948-27-6)物化性质

计算特性

  • 氢键供体数量 : 2
  • 氢键受体数量 : 3
  • 重原子数量 : 18
  • 疏水参数计算参考值(XlogP) : 1.697