478-07-9 (（+）-马来酰基,(+)-Malaccol)

快速询单

结构式：

（+）-马来酰基MOL文件

CAS号：

478-07-9

中文名称：

（+）-马来酰基

英文名称：

(+)-Malaccol

分子式：

C₂₀H₁₆O₇

分子量：

368.336846351624

植物源：

拟鱼藤

（+）-马来酰基(478-07-9)名称与标识符

名称

英文别名：

(+)-Malaccol;(6aS)-5-Hydroxy-8,9-dimethoxy-(6ar,12ac)-12,12a-dihydro-6aH-chromeno[3,4-b]furo[2,3-h]chromen-6-on;(6aS)-5-hydroxy-8,9-dimethoxy-(6ar,12ac)-12,12a-dihydro-6aH-chromeno[3,4-b]furo[2,3-h]chromen-6-one;(6aS,12aS)-Malaccol;Malaccol;[6aS,(+)]-12,12aα-Dihydro-5-hydroxy-8,9-dimethoxy-[1]benzopyrano[3,4-b]furo[3,2-h][1]benzopyran-6(6aαH)-one;[1]Benzopyrano[3,4-b]furo[2,3-h][1]benzopyran-6(6aH)-one, 12,12a-dihydro-5-hydroxy-8,9-dimethoxy-, (6aS-cis)- (8CI,9CI);

标识符

InChIKey：

WEMVDFMZCALBHH-UHFFFAOYSA-N

Inchi：

1S/C20H16O7/c1-23-14-5-10-13(7-15(14)24-2)26-8-16-17(10)19(22)18-11(21)6-12-9(3-4-25-12)20(18)27-16/h3-7,16-17,21H,8H2,1-2H3

SMILES：

COC1C(OC)=CC2=C(OCC3C2C(=O)C2C(=CC4=C(C=2O3)C=CO4)O)C=1

（+）-马来酰基(478-07-9)物化性质

实验特性

沸点 : 452.5±45.0 °C(Predicted)
熔点 : 244 °C
酸度系数(pKa) : 7.78±0.20(Predicted)
密度 : 1.416±0.06 g/cm3(Predicted)

计算特性

氢键供体数量 : 1
氢键受体数量 : 7
重原子数量 : 27
疏水参数计算参考值（XlogP） : 1.194

（+）-马来酰基(478-07-9)相关文献

1. 63. The active principles of leguminous fish-poison plants. Part IV. The isolation of malaccol from Derris malaccensis
Stanley H. Harper J. Chem. Soc. 1940 309
2. 1072. Structure and stereochemistry of sumatrol and malaccol
L. Crombie,R. Peace J. Chem. Soc. 1961 5445
3. 221. The active principles of leguminous fish-poison plants. Part V. Derris malaccensis and Tephrosia toxicaria
Stanley H. Harper J. Chem. Soc. 1940 1178
4. 285. The relative stereochemistry of the rotenoids
Carl Djerassi,W. D. Ollis,R. C. Russell J. Chem. Soc. 1961 1448
5. Index pages
Analyst 1940 65 A001
6. Synthetic hydroxyrotenoids
D. J. Ringshaw,H. J. Smith J. Chem. Soc. C 1968 102
7. 121. The active principles of leguminous fish-poison plants. Part VIII. The synthesis of dehydrotetrahydroelliptone and of dehydrotetrahydromalaccol
Stanley H. Harper J. Chem. Soc. 1942 593
8. Index of subjects, 1940
J. Chem. Soc. 1940 1586
9. Notes
Phillip M. Fisk,Alex. Liberman,Francis F. Pollak,Stanley H. Harper J. Chem. Soc. 1941 877
10. Carbon-13 magnetic resonance spectra of natural rotenoids and their relatives
Leslie Crombie,Geoffrey W. Kilbee,Donald A. Whiting J. Chem. Soc. Perkin Trans. 1 1975 1497