8-[2,4-dihydroxy-6-methoxy-5-methyl-3-{ 1-oxo-3-(4-hydroxyphenylpropyl)}phenyl]methylene-5,7-trihydroxy-3-methoxy-2-(4-methoxyphenyl)-4H-l-benzopyran-4-one

8-[2,4-dihydroxy-6-methoxy-5-methyl-3-{ 1-oxo-3-(4-hydroxyphenylpropyl)}phenyl]methylene-5,7-trihydroxy-3-methoxy-2-(4-methoxyphenyl)-4H-l-benzopyran-4-one

Common Name: 8-[2,4-dihydroxy-6-methoxy-5-methyl-3-{ 1-oxo-3-(4-hydroxyphenylpropyl)}phenyl]methylene-5,7-trihydroxy-3-methoxy-2-(4-methoxyphenyl)-4H-l-benzopyran-4-one

Synonyms: 4H-​1-​Benzopyran-​4-​one, 8-​[[2,​4-​dihydroxy-​3-​[3-​(4-​hydroxyphenyl)​-​1-​oxopropyl]​-​6-​ methoxy-​5-​methylphenyl]​methyl]​-​5,​7-​dihydroxy-​3-​methoxy-​2-​(4-​ methoxyphenyl)​-

CAS Registry Number: 188438-71-3

InChI:

InChIKey:

Formula: C35H32O11

Molecular Weight: 628.63

Exact Mass: 628.1945

NMR Solvent: acetone-d6

MHz: 400 (1H), 100 (13C)

Calibration: not indicated

NMR references: Iinuma, M., Kakuto, Y., Tanida, N., Tanaka, T., Lang, F. (1997). Unusual Biflavonoids in the Farinose Exudate of Pentagramma triangularis. Phytochemistry 44, 705-710.

Species: Pentagramma triangularis - Iinuma, M., Kakuto, Y., Tanida, N., Tanaka, T., Lang, F. (1997). Unusual Biflavonoids in the Farinose Exudate of Pentagramma triangularis. Phytochemistry 44, 705-710.

Notes: All protons were assigned by HH COSY spectrum and NOE experiments.

Proton NMR Peaks

Position PPM Peak Type J (Hz)
6 6.03 s
11 4.05 s
2', 6' 8.33 d 9
3', 5' 7.14 d 9
2", 6" 7.13 d 8
3", 5" 6.73 d 8
7" 2.89 t 8
8" 3.54 t 8
CH3 1.93 s
4'''-OCH3 3.31 s
3-OCH3 3.84 s
4'-OCH3 3.92 s
5-OH 12.74 s

Carbon NMR Peaks

Position PPM
2 155
3 138.7
4 178.7
5 165
6 101.3
7 171.3
8 108.2
9 154.8
10 103.4
11 18.8
1' 124.8
2', 6' 131
3', 5' 114.7
4' 161
1" 134
2", 6" 130.2
3", 5" 115.9
7" 31
8" 47.7
9" 207.7
1''' 110.2
2''' 162.3
3''' 114.7
4''' 163
5''' 105.4
6''' 163
CH3 8.7
3-OCH3 60.3
4'-OCH3 55.4
4'''-OCH3 60.2