24959-84-0 (清艾菊素A,4H-Bisoxireno[1,8a:2,3]azuleno[4,5-b]furan-2(3H)-one,octahydro-6-hydroxy-6,8a-dimethyl-3-methylene-,(3aS,6R,6aR,7aS,7bR,8aS,8bS,8cS)-)

CAS号:
24959-84-0
中文名称:
清艾菊素A
英文名称:
4H-Bisoxireno[1,8a:2,3]azuleno[4,5-b]furan-2(3H)-one,octahydro-6-hydroxy-6,8a-dimethyl-3-methylene-,(3aS,6R,6aR,7aS,7bR,8aS,8bS,8cS)-
分子式:
C15H18O5
分子量:
278.300425052643

清艾菊素A(24959-84-0)名称与标识符

名称

中文别名:
清艾菊素A;
英文别名:
4H-Bisoxireno[1,8a:2,3]azuleno[4,5-b]furan-2(3H)-one,octahydro-6-hydroxy-6,8a-dimethyl-3-methylene-,(3aS,6R,6aR,7aS,7bR,8aS,8bS,8cS)-;4H-Bisoxireno[1,8a:2,3]azuleno[4,5-b]furan-2(3H)-one,octahydro-6-hydroxy-6,8a-dimethyl-3-methy...;4H-Bisoxireno[1,8a:2,3]azuleno[4,5-b]furan-2(3H)-one,octahydro-6-hydroxy-6,8a-dimethyl-3-methylene-,(3aS,6R,6aR,7aS,7bR,8aS,8;24959-84-0;DTXSID70947832;6-Hydroxy-6,8a-dimethyl-3-methylideneoctahydro-4H-bisoxireno[2,3:1,8a]azuleno[4,5-b]furan-2(3H)-one;4H-Bisoxireno(1,8a:2,3)azuleno(4,5-b)furan-2(3H)-one, octahydro-6-hydroxy-6,8a-dimethyl-3-methylene-, (3aS-(3aalpha,6alpha,6aS*,7abeta,7bbeta,8abeta,8balpha,8cbeta))-;CHEMBL271164;NS00094041;CHEBI:3356;C09354;Q27106041;(1R,2R,5S,9S,10S,11S,13R,14S)-2-hydroxy-2,11-dimethyl-6-methylidene-8,12,15-trioxapentacyclo[8.5.0.01,14.05,9.011,13]pentadecan-7-one;Canin;Octahydro-6-hydroxy-6,8a-dimethyl-3-methylene-4H-bisoxireno(1,8a:2,3)azuleno(4,5-b)furan-2(3H)-one (3aS-(3aalpha,6alpha,6aS*,7abeta,7bbeta,8abeta,8balpha,8cbeta))-;Canin (Chrysartemin A);

标识符

InChIKey:
KXLUWEYBZBGJRZ-POEOZHCLSA-N
Inchi:
1S/C15H18O5/c1-6-7-4-5-13(2,17)15-9(8(7)18-12(6)16)14(3)10(19-14)11(15)20-15/h7-11,17H,1,4-5H2,2-3H3/t7-,8-,9-,10+,11-,13+,14-,15+/m0/s1
SMILES:
O1[C@H]2[C@@H]3[C@](C)([C@@H]4[C@@H]5[C@H](C(=C)C(=O)O5)CC[C@](C)([C@]124)O)O3

清艾菊素A(24959-84-0)物化性质

实验特性

  • 折射率 : 1.611
  • 沸点 : 487.2°Cat760mmHg
  • 闪点 : 187.8°C
  • 密度 : 1.43

计算特性

  • 精确分子量 : 278.115
  • 氢键供体数量 : 1
  • 氢键受体数量 : 5
  • 可旋转化学键数量 : 0
  • 同位素质量 : 278.115
  • 重原子数量 : 20
  • 复杂度 : 573
  • 同位素原子数量 : 0
  • 确定原子立构中心数量 : 8
  • 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) : 0.2
  • 拓扑分子极性表面积 : 71.6A^2

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