2,3-dihydro-3',3'''-biapigenin

2,3-dihydro-3',3'''-biapigenin

Common Name: 2,3-dihydro-3',3'''-biapigenin

Synonyms: 4H-​1-​Benzopyran-​4-​one, 2-​[5'-​(5,​7-​dihydroxy-​4-​oxo-​4H-​1-​benzopyran-​2-​yl)​-​2',​6-​dihydroxy[1,​1'-​biphenyl]​-​3-​yl]​-​2,​3-​dihydro-​5,​7-​dihydroxy-​, (S)​- (9CI)

CAS Registry Number: 151455-25-3

InChI:

InChIKey:

Formula: C30H20O10

Molecular Weight: 540.48

Exact Mass: 540.1056

NMR Solvent: DMSO-d6

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

Calibration: not indicated

NMR references: Seeger, T., Geiger, H., Zinsmeister, H., Rozdzinski, W. (1993). Biflavonoids From The Moss Homalothecium lutescens. Phytochemistry 34, 295-296.

Li, S., Zhao, M., Li, Y., Sui, Y., Yao, H., Huang, L., Lin, X. (2014). Preparative Isolation of six Anti-Tumour Biflavonoids from Selaginella Doederleinii Hieron by High-Speed Counter-Current Chromatography. Phytochem. Anal. 25, 127-133.

Species: Homalothecium lutescens - Seeger, T., Geiger, H., Zinsmeister, H., Rozdzinski, W. (1993). Biflavonoids From The Moss Homalothecium lutescens. Phytochemistry 34, 295-296.

Notes:

Proton NMR Peaks

Position PPM Peak Type J (Hz)
2 5.49 dd 3, 13
3 ax 3.35 dd 13, 17
3 eq 2.71 dd 3, 17
6 5.89 d 2
8 5.87 d 2
2' 7.33 d
5' 6.94 d 9
6' 7.34 dd 2, 9
5-OH 12.16
3" ax 6.8 s
6" 6.18 d 2
8" 6.47 d 2
2''' 7.83 d 2
5''' 7.02 d 9
6''' 7.89 dd 2, 9
5"-OH 13 s

Carbon NMR Peaks

Position PPM
2 78.5
3 42
4 196.3
5 163.9
6 95.7
7 166.6
8 94.9
9 162.9
10 101.7
1' 128.6
2' 130.1
3' 126.6
4' 155.4
5' 115.7
6' 127.1
2" 163.4
3" 102.8
4" 181.6
5" 161.4
6" 98.8
7" 164
8" 93.9
9" 157.3
10" 103.7
1''' 120.6
2''' 129.8
3''' 124.9
4''' 159.3
5''' 116.4
6''' 127.2