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 结构式图片|3466-09-9结构式图片
 
3466-09-9
C23H20O6
392.4013
如需查看该化合物的详细结构式,mol文件,smile,InChi 请点击: 结构式
 MSDS
303993
名称和标识符
InChIKey GFERNZCCTZEIET-UHFFFAOYSA-N
Inchi InChI=1S/C23H20O6/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/h5-7,9,16H,1,8,10H2,2-4H3
SMILES CC(=C)C1CC2=C(O1)C=CC3=C2OC4=C(C3=O)C5=CC(=C(C=C5OC4)OC)OC
别名信息
- 中文别名 -
- 英文别名 -
  • 7,8-Didehydrorotenone
  • 6a,12a-dehydrorotenone
  • (2R)-2-Isopropenyl-8,9-dimethoxy-1,2-dihydro[1]benzopyrano[3,4-b]furo[2,3-h][1]benzopyran-6(12H)-one
  • (R)-1,2-Dihydro-8,9-dimethoxy-2-(1-methylethenyl)-[1]benzopyrano[3,4-b]furo[2,3-h][1]benzopyran-6(12H)-one
  • (R)-2-isopropenyl-8,9-dimethoxy-1,2-dihydro-12H-chromeno[3,4-b]furo[2,3-h]chromen-6-one
  • (R)-2-Isopropenyl-8,9-dimethoxy-1,2-dihydro-12H-chromeno[3,4-b]furo[2,3-h]chromen-6-on
  • Dehydr
  • (1)Benzopyrano(3,4-b)furo(2,3-h)(1)benzopyran-6(12H)-one, 1,2-dihydro-2-alpha-isopropyl-8,9-dimethoxy-
  • Rotenone, 7,8-didehydro-
  • (1)Benzopyrano(3,4-b)furo(2,3-h)(1)benzopyran-6(12H)-one, 1,2-dihydro-8,9-dimethoxy-2-(1-methylethenyl)-, (R)-
  • NSC-194812
  • Rotenone, didehydro-
  • 6a,12a-Dehydrorotenone
  • 7FPD8FYQ76
  • NSC 194812
  • (1)Benzopyrano(3,4-b)furo(2,3-h)(1)benzopyran-6(12H)-one, 1,2-dihydro-8,9-dimethoxy-2-(1-methylethenyl)-, (2R)-
  • CHEMBL7940
  • AKOS040746743
  • 7,8-Didehydrorotenone
  • BSPBio_002411
  • 3466-09-9
  • CHEBI:110163
  • Dehydrorotenone
  • KBioGR_002219
  • KBio1_001147
  • 1,2-dihydro-8,9-dimethoxy-2-(1-methylethenyl)[1] benzopyrano[3,4-b]furo[2,3-h][1]benzopyran-6(12h)one
  • CCG-38496
  • KBio2_001167
  • SR-05000002637
  • Spectrum4_001520
  • SPECTRUM201154
  • Q27189544
  • NCGC00095794-03
  • CHEMBL3039287
  • LMPK12060062
  • 16,17-dimethoxy-6-prop-1-en-2-yl-2,7,20-trioxapentacyclo[11.8.0.03,11.04,8.014,19]henicosa-1(13),3(11),4(8),9,14,16,18-heptaen-12-one
  • Spectrum3_000686
  • NCGC00095794-02
  • Spectrum_000687
  • SCHEMBL4284934
  • BRD-A84913188-001-02-0
  • Spectrum2_001930
  • (2R)-2-Isopropenyl-8,9-dimethoxy-1,2-dihydro[1]benzopyrano[3,4-b]furo[2,3-h][1]benzopyran-6(12H)-one
  • KBio2_006303
  • (2r)-8,9-dimethoxy-2-(prop-1-en-2-yl)-1,2-dihydrochromeno[3,4-b]furo[2,3-h]chromen-6(12h)-one
  • BRD-A84913188-001-03-8
  • KBio2_003735
  • NSC194812
  • KBio3_001631
  • NCGC00095794-01
  • KBioSS_001167
  • SR-05000002637-1
  • Spectrum5_000319
  • SPBio_001939
  • Didehydrorotenone
  • DivK1c_006203
  • LSM-21590
  • SpecPlus_000107
  • dehydrorotenone
物化性质
实验特性
LogP 4.24920
PSA 63.22
计算特性
精确分子量 392.126
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 392.12598835g/mol
重原子数量 29
复杂度 729
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 1
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
拓扑分子极性表面积 63.2Ų
相关文献
  • 1. 122. Experiments on the synthesis of rotenone and its derivatives. Part III. The dehydrorotenone nucleus
    Alexander Robertson J. Chem. Soc. 1933 489
  • 2. 106. The action of alkali on rotenone and related substances
    R. S. Cahn,R. F. Phipers,J. J. Boam J. Chem. Soc. 1938 513
  • 3. Biosynthesis of rotenoids. Evidence for 1,2-aryl migration and the isoflavonoid construction of rings A, C, and D in rotenone and amorphigenin
    L. Crombie,M. B. Thomas J. Chem. Soc. C 1967 1796
  • 4. Biosynthesis of rotenoids: the origin of C-6 and C-6a
    L. Crombie,C. L. Green,D. A. Whiting J. Chem. Soc. C 1968 3029
  • 5. 553. The absolute configuration of rotenone
    G. Büchi,L. Crombie,P. J. Godin,J. S. Kaltenbronn,K. S. Siddalingaiah,D. A. Whiting J. Chem. Soc. 1961 2843
  • 6. 181. Experiments on the synthesis of rotenone and its derivatives. Part II. The synthesis of rissic acid and of derric acid, and the constitution of rotenone, deguelin, and tephrosin
    Alexander Robertson J. Chem. Soc. 1932 1380
  • 7. 555. Some chemistry of the B/C-ring system of rotenoids
    L. Crombie,P. J. Godin,D. A. Whiting,K. S. Siddalingaiah J. Chem. Soc. 1961 2876
  • 8. 120. The active principles of leguminous fish-poison plants. Part VII. The reduction of elliptone
    Stanley H. Harper J. Chem. Soc. 1942 587
  • 9. Isoflavonoids of the Leguminosae
    Nigel C. Veitch Nat. Prod. Rep. 2013 30 988
  • 10. Biosynthesis of rotenoids. The origin of C-6a and the “extra” methylene at C-6
    L. Crombie,C. L. Green,D. A. Whiting Chem. Commun. (London) 1968 234
专业数据库参考
PubChemId 303993
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