7701-84-0 (5'alpha-Rotenon,5'alpha-Rotenon)

CAS号:
7701-84-0
中文名称:
5'alpha-Rotenon
英文名称:
5'alpha-Rotenon
分子式:
C23H22O6
分子量:
394.417187213898

5'alpha-Rotenon(7701-84-0)名称与标识符

名称

英文别名:
5'alpha-Rotenon;5'alpha-Rotenon + 5'beta-Rotenon;Rotenon;rotenone;[1]Benzopyrano[3,4-b]furo[2,3-h][1]benzopyran-6(6a.alpha.H)-one, 1,2,12,12a.alpha.-tetrahydro-2.alpha.-isopropenyl-8,9-dimethoxy-;NCGC00095765-01;A864212;SY102181;[1]Benzopyrano[3,4-b]furo[2,3-h][1]benzopyran-6(6aH)-one,1,2,12,12a-tetrahydro-8,9-dimethoxy-2-(1-methylethenyl)-, (2R,6aS,12aS)-;Rotenona;CHEMBL418710;MFCD09025614;7701-84-0;NSC115907;(1)Benzopyrano(3,4-b)furo(2,3-h)(1)benzopyran-6(6aH)-one, 1,2,12,12a-tetrahydro-2-.alpha.-isopropenyl-8,9-dimethoxy-;12679-58-2;SMR000444453;5'.beta.-Rotenone;2,6a,12,12a-tetrahydro-8,9-di methoxy-2-(1-methylethenyl)-[1]benzopyrano[3,4-b]furo [2,3-h][1]benzopyran-6 (1h)-one;Green cross warble;DTXSID10859127;JUVIOZPCNVVQFO-UHFFFAOYSA-N;NP139;Neuro_000013;AKOS025247996;NCGC00015901-02;16,17-dimethoxy-6-(prop-1-en-2-yl)-2,7,20-trioxapentacyclo[11.8.0.0(3),(1)(1).0?,?.0(1)?,(1)?]henicosa-3,8,10,14,16,18-hexaen-12-one;2-Isopropenyl-8,9-dimethoxy-1,2,12,12a-tetrahydrochromeno[3,4-b]furo[2,3-H]chromen-6(6ah)-one, (6R,-(6a.alpha.,12a.alpha.)-;Rotacide E.C.;MLS006011865;NSC-115907;(2R,2.alpha.,6a.alpha.,12a.alpha.)-1,2,12,12a-tetrahydro-8,9-dimethoxy-2-(1-methylethenyl)[1]benzopyrano[3,4-b]furo[2,3-H][1]benzopyran-6(6aH)-one;VS-12311;FT-0774778;16,17-dimethoxy-6-prop-1-en-2-yl-2,7,20-trioxapentacyclo[11.8.0.03,11.04,8.014,19]henicosa-3(11),4(8),9,14,16,18-hexaen-12-one;5'beta-Rotenone;8,9-Dimethoxy-2-(1-propen-2-yl)-1,2,12,12a-tetrahydrochromeno[3,4-b]furo[2,3-h]chromen-6(6aH)-one;[1]Benzopyrano[3,4-b]furo[2,3-h][1]benzopyran-6(6aH)-one, 1,2,12,12a-tetrahydro-8,9-dimethoxy-2-(1-methylethenyl)-, [2R-(2.alpha.,6a.alpha.,12a.alpha.)]-;(1)Benzopyrano(3,4-b)furo(2,3-h)(1)benzopyran-6(6a.alpha.H)-one, 1,2,12,12a.alpha.-tetrahydro-2.alpha.-isopropenyl-8,9-dimethoxy-;[2R-(2alpha,6a-alpha,12a-alpha)]-1,2,12,12a-Tetrahydro-8,9-dimethoxy-2-(1-methylethenyl)-[1]benzopyrano[3,4-b]furo[2,3-h][1]benzopyran-6(6aH)-one;(1)Benzopyrano(3,4-b)furo(2,3-h)(1)benzopyran-6(6aH)-one,1,2,12,12a-tetrahydro-8,9-dimethoxy-2-(1-methylethenyl)-,(2R,6aS,12aS)-;SCHEMBL9815546;HMS3755E11;STL372898;16,17-DIMETHOXY-6-(PROP-1-EN-2-YL)-2,7,20-TRIOXAPENTACYCLO[11.8.0.0(3),(1)(1).0?,?.0(1)?,(1)?]HENICOSA-3(11),4(8),9,14,16,18-HEXAEN-12-ONE;BBL033847;8,9-dimethoxy-2-(prop-1-en-2-yl)-1,2,12,12a-tetrahydrochromeno[3,4-b]furo[2,3-h]chromen-6(6aH)-one;16,17-dimethoxy-6-(prop-1-en-2-yl)-2,7,20-trioxapentacyclo[11.8.0.0(3),(1)(1).0?,?.0(1)?,(1)?]henicosa-3(11),4(8),9,14(19),15,17-hexaen-12-one;A11613;

标识符

InChIKey:
JUVIOZPCNVVQFO-UHFFFAOYSA-N
Inchi:
1S/C23H22O6/c1-11(2)16-8-14-15(28-16)6-5-12-22(24)21-13-7-18(25-3)19(26-4)9-17(13)27-10-20(21)29-23(12)14/h5-7,9,16,20-21H,1,8,10H2,2-4H3
SMILES:
O1C2C(=CC=C3C=2CC(C(=C)C)O3)C(C2C3C=C(C(=CC=3OCC12)OC)OC)=O

5'alpha-Rotenon(7701-84-0)物化性质

计算特性

  • 精确分子量 : 394.14163842g/mol
  • 氢键供体数量 : 0
  • 氢键受体数量 : 6
  • 可旋转化学键数量 : 3
  • 同位素质量 : 394.14163842g/mol
  • 重原子数量 : 29
  • 复杂度 : 664
  • 同位素原子数量 : 0
  • 确定原子立构中心数量 : 0
  • 不确定原子立构中心数量 : 3
  • 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) : 4.1
  • 拓扑分子极性表面积 : 63.2Ų