Jeediflavanone heptaacetate

Jeediflavanone heptaacetate

Common Name: Jeediflavanone heptaacetate

Synonyms: 4H-​1-​Benzopyran-​4-​one, 5,​7-​bis(acetyloxy)​-​8-​[2-​(acetyloxy)​-​5-​[5,​7-​bis(acetyloxy)​-​3,​4-​dihydro-​4-​oxo-​2H-​1-​benzopyran-​2-​yl]​phenyl]​-​2-​[3,​4-​bis(acetyloxy)​phenyl]​-​2,​3-​dihydro-​, [S-​(R*,​R*)​]​- (9CI)

CAS Registry Number: 90332-26-6

InChI:

InChIKey:

Formula: C44H36O18

Molecular Weight: 852.75

Exact Mass: 852.1902

NMR Solvent: CDCl3

MHz: 80.0

Calibration: TMS

NMR references: Murthy, S. (1985). Jeediflavanone-A Biflavonoid From Semecarpus anacardium. Phytochemistry 24, 1065-1069.

Species: synthesis - Murthy, S. (1985). Jeediflavanone-A Biflavonoid From Semecarpus anacardium. Phytochemistry 24, 1065-1069.

Notes:

Proton NMR Peaks

Position PPM Peak Type J (Hz)
3, 3", cis protons 2.77 dd 4, 16
3, 3", trans protons 3.13 m
2, 2" 5.4 dd 4, 12
6 6.14 d 2
8 6.2 d 2
6" or 8" 6.61 s
2''', 5''', 6''' range 6.88 m
2''', 5''', 6''' range 7.07
2', 5', 6' range 7.19 m
2', 5', 6' range 7.38
5, 7, 4', 5", 7", 3''', 4''' (acetoxyl groups) 2.22 s
5, 7, 4', 5", 7", 3''', 4''' (acetoxyl groups) 2.24 s
5, 7, 4', 5", 7", 3''', 4''' (acetoxyl groups) 2.25 s
5, 7, 4', 5", 7", 3''', 4''' (acetoxyl groups) 2.26 s
5, 7, 4', 5", 7", 3''', 4''' (acetoxyl groups) 2.28 s