4H-​1-​Benzopyran-​4-​one, 8-​[[2,​4-​dihydroxy-​6-​methoxy-​5-​methyl-​3-​(1-​oxo-​3-​ phenylpropyl)​phenyl]​methyl]​-​5,​7-​dihydroxy-​3-​methoxy-​2-​phenyl-

4H-​1-​Benzopyran-​4-​one, 8-​[[2,​4-​dihydroxy-​6-​methoxy-​5-​methyl-​3-​(1-​oxo-​3-​ phenylpropyl)​phenyl]​methyl]​-​5,​7-​dihydroxy-​3-​methoxy-​2-​phenyl-

Common Name: 4H-​1-​Benzopyran-​4-​one, 8-​[[2,​4-​dihydroxy-​6-​methoxy-​5-​methyl-​3-​(1-​oxo-​3-​ phenylpropyl)​phenyl]​methyl]​-​5,​7-​dihydroxy-​3-​methoxy-​2-​phenyl-

Synonyms: 4H-​1-​Benzopyran-​4-​one, 8-​[[2,​4-​dihydroxy-​6-​methoxy-​5-​methyl-​3-​(1-​oxo-​3-​ phenylpropyl)​phenyl]​methyl]​-​5,​7-​dihydroxy-​3-​methoxy-​2-​phenyl-

CAS Registry Number: 155205-26-8

InChI:

InChIKey:

Formula: C34H30O9

Molecular Weight: 582.605

Exact Mass: 582.188985

NMR Solvent: acetone-d6

MHz: not indicated

Calibration: not indicated

NMR references: Iinuma, M., Tanaka, T., Suzuki, K., Lang, F. (1994). Two Biflavonoids in the Farinose Exudate of Pentagramma triangularis. Phytochemistry 35, 1043-1047.

Species: Pentagramma triangularis - Iinuma, M., Tanaka, T., Suzuki, K., Lang, F. (1994). Two Biflavonoids in the Farinose Exudate of Pentagramma triangularis. Phytochemistry 35, 1043-1047.

Notes: For 13C NMR data, carbons were assigned by aid of 13C-1H COSY and COLOC spectra. The carbons on the B and B' ring were assigned by comparison with those of known compounds having the same partial structure. The multiplicity was determined by DEPT methods.

Proton NMR Peaks

Position PPM Peak Type J (Hz)
6 6.27 s
11 4.08 s
2', 6' 8.26 d like m
3'-5', 2"-6" 7.01 m
3'-5', 2"-6" 7.6
7" 2.94 t 8
8" 3.52 t 8
5'''-CH3 1.96 s
5-OH 12.72 s
3-OCH3 3.88 s
4'''-OCH3 3.34 s

Carbon NMR Peaks

Position PPM
2 156.1
3 140.2
4 179.8
5 162.6
6 101.1
7 163.2
8 107.9
9 155.7
10 105.7
11 18.8
1' 131.8
2', 6' 129.4
3', 5' 130
4' 132.7
1" 143.5
2", 6" 129.8
3", 5" 130
4" 126.8
7" 31.8
8" 47.5
9" 207.2
1''' 110.1
2''' 161.7
3''' 114.3
4''' 165.3
5''' 109
6''' 163.2
5'''-CH3 9.4
3-OCH3 60.9
4'''-OCH3 61