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去氢毒灰叶酚; 6a,12a-二去氢-alpha-毒灰叶酚 | 59086-93-0

去氢毒灰叶酚; 6a,12a-二去氢-alpha-毒灰叶酚结构式图片|59086-93-0结构式图片
去氢毒灰叶酚; 6a,12a-二去氢-alpha-毒灰叶酚
Dehydrotoxicarol
59086-93-0
C23H20O7
408.4007
如需查看该化合物的详细结构式,mol文件,smile,InChi 请点击:去氢毒灰叶酚; 6a,12a-二去氢-alpha-毒灰叶酚结构式
5491616
名称和标识符
InChIKey HDDUSYQWBVKRGV-UHFFFAOYSA-N
Inchi InChI=1S/C23H20O7/c1-23(2)6-5-11-15(30-23)8-13(24)20-21(25)19-12-7-16(26-3)17(27-4)9-14(12)28-10-18(19)29-22(11)20/h5-9,24H,10H2,1-4H3
SMILES CC1(C=Cc2c(cc(c3c2oc4c(c3=O)-c5cc(c(cc5OC4)OC)OC)O)O1)C
别名信息
- 中文别名 -
  • 6A,12A-二去氢-alpha-毒灰叶酚
  • 去氢毒灰叶酚
  • 脱氢氧化葡萄糖
  • 6A,12A-二去氢-ALPHA-毒灰叶酚标准品
  • 对照品
  • 6a,12a-二去氢-alpha-毒灰叶酚
- 英文别名 -
  • Dehydrotoxicarol
  • 11-hydroxy-6a,12adehydrodeguelin
  • 7a,13a-Didehydrotoxicarol
  • 6a,12a-Didehydro-alpha-toxicarol
  • [ "" ]
  • FS-8668
  • 6a,12a-Dehydro-alpha-toxicarol
  • HY-N3718
  • A-toxicarol
  • 6a,12a-Didehydro-alpha-toxcarol
  • 6a,12a-Dehydro-
  • 11-hydroxy-17,18-dimethoxy-7,7-dimethyl-2,8,21-trioxapentacyclo[12.8.0.0^{3,12.0^{4,9.0^{15,20]docosa-1(14),3(12),4(9),5,10,15,17,19-octaen-13-one
  • LMPK12060069
  • BDBM50473404
  • CS-0024111
  • DTXSID70974542
  • 6-Hydroxy-9,10-dimethoxy-3,3-dimethyl-3H-[1]benzopyrano[4',3':5,6]pyrano[2,3-f][1]benzopyran-7(13H)-one
  • 59086-93-0
  • 6a,12a-Dehydro-alpha-toxcarol
  • CHEMBL122787
  • AKOS032948257
  • 6a,12a-Dehydrotoxicarol
  • 11-hydroxy-17,18-dimethoxy-7,7-dimethyl-2,8,21-trioxapentacyclo[12.8.0.03,12.04,9.015,20]docosa-1(14),3(12),4(9),5,10,15,17,19-octaen-13-one
物化性质
实验特性
LogP 4.25940
PSA 87.36000
沸点 626.5±55.0 °C at 760 mmHg
蒸气压 0.0±1.9 mmHg at 25°C
闪点 221.4±25.0 °C
颜色与性状 Yellow powder
密度 1.5±0.1 g/cm3
计算特性
精确分子量 408.12100
氢键供体数量 1
氢键受体数量 7
可旋转化学键数量 2
同位素质量 408.12090297g/mol
重原子数量 30
复杂度 772
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 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) 3.8
拓扑分子极性表面积 83.4Ų
相关文献
  • 1. 57. Experiments on the synthesis of rotenone and its derivatives. Part XII. The 2 : 2-dimethyl-a—?3-chromen residue of toxicarol
    Walter Bridge,Reginald G. Heyes,Alexander Robertson J. Chem. Soc. 1937 279
  • 2. 318. Experiments on the synthesis of rotenone and its derivatives. Part XIV. The structure of toxicarol
    Stephen W. George,Alexander Robertson J. Chem. Soc. 1937 1535
  • 3. Index pages
    Analyst 1933 58 A001
  • 4. 221. The active principles of leguminous fish-poison plants. Part V. Derris malaccensis and Tephrosia toxicaria
    Stanley H. Harper J. Chem. Soc. 1940 1178
  • 5. Synthesis of novel labile rotenoids with unnatural trans-B/C ring systems
    Michael J. Begley,Leslie Crombie,A. Hamid bin A. Hadi,Jonathan L. Josephs J. Chem. Soc. Perkin Trans. 1 1989 204
  • 6. Index to subjects, 1937
    J. Chem. Soc. 1937 2029
  • 7. 106. The action of alkali on rotenone and related substances
    R. S. Cahn,R. F. Phipers,J. J. Boam J. Chem. Soc. 1938 513
  • 8. The isoflavones
    W. K. Warburton Q. Rev. Chem. Soc. 1954 8 67
  • 9. 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
专业数据库参考
PubChemId 5491616
参考资料
Reaxys RN
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