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

CAS Registry Number: 188438-72-4

InChI:

InChIKey:

Formula: C34H30O10

Molecular Weight: 598.6

Exact Mass: 598.1839

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 6.14 s
11 4.06 s
2', 6' 8.35 d like m
3', 5' 7.62 m
4' 7.62 m
2", 6" 7.08 d 8
3", 5" 6.6 d 8
7" 2.87 d 8
8" 3.52 t 8
CH3 2.14 s
4'''-OCH3 3.31 s
3-OCH3 3.88 s
5-OH 12.76 s

Carbon NMR Peaks

Position PPM
2 155.1
3 139.6
4 178.9
5 165.4
6 101.2
7 171.3
8 108
9 154.9
10 103.7
11 18.6
1' 131.1
2', 6' 129.4
3', 5' 130.2
4' 132.5
1" 133.8
2", 6" 130.2
3", 5" 114.7
7" 30.9
8" 47.7
9" 207.7
1''' 110
2''' 161
3''' 114.4
4''' 164.9
5''' 106.3
6''' 163
CH3 8.7
3-OCH3 60.4
4'''-OCH3 60.3