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

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

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

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

CAS Registry Number: 188438-69-9

InChI:

InChIKey:

Formula: C34H30O11

Molecular Weight: 614.6

Exact Mass: 614.1788

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. Carbon assignments assigned by the aid of CH COSY and COLOC spectrum.

Proton NMR Peaks

Position PPM Peak Type J (Hz)
6 6.33 s
11 4.21 s
2', 6' 8.31 d 9
3', 5' 7.11 d 9
2", 6" 7.06 d 8
3", 5" 6.74 d 8
7" 2.87 t 8
8" 3.41 t 8
CH3 2.03 s
4'''-OCH3 3.51 s
4'-OCH3 3.91 s
5-OH 12.23 s

Carbon NMR Peaks

Position PPM
2 146.9
3 136.9
4 176.9
5 160.3
6 98.9
7 162
8 106.9
9 155.1
10 104.6
11 17.4
1' 124.5
2', 6' 130.2
3', 5' 114.8
4' 162
1" 133.2
2", 6" 130.1
3", 5" 115.9
7" 30.6
8" 47.7
9" 207.6
1''' 108.9
2''' 159.3
3''' 112.7
4''' 164.4
5''' 110.5
6''' 160.8
CH3 9.1
4'-OCH3 55.7
4'''-OCH3 61