Thuidinin

Thuidinin

Common Name: Thuidinin

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

CAS Registry Number: 910877-09-7

InChI:

InChIKey:

Formula: C31H24O10

Molecular Weight: 556.52

Exact Mass: 556.137

NMR Solvent: C5D5N

MHz: 400.0

Calibration: TMS

NMR references: Zhao, X., Jiang, H., Huang, H., Zhu, R., Jiang, B. (2006). Ring-B Linked Bidihydroflavonoids from Thuidium kanedae Sak. Chin. J. Chem. 24, 393-395.

Species: Thuidium kanadae - Zhao, X., Jiang, H., Huang, H., Zhu, R., Jiang, B. (2006). Ring-B Linked Bidihydroflavonoids from Thuidium kanedae Sak. Chin. J. Chem. 24, 393-395.

Notes:

Proton NMR Peaks

Position PPM Peak Type J (Hz)
2, 2" 5.6 br d 13
3 ax, 3"ax 3 dd 17, 13
3 eq, 3"eq 3.4 dd 7, 3
6, 6" 6.5 brs
6, 6" 6.48 brs
8, 8" 6.6 brs
8, 8'' 6.51 brs
OCH3 3.96 s
2', 2''' 7.9 brs
5', 5''' 7.48 d 8
6', 6''' 7.7 d 8

Carbon NMR Peaks

Position PPM
2, 2" 80
2, 2" 80
3 ax, 3"ax 46.5
3 ax, 3"ax 43.7
4, 4" 189.2
4, 4" 196.9
5, 5" 163.7
5, 5" 165.4
6, 6" 94.9
6, 6" 96.5
7, 7" 166.6
7, 7" 169
8, 8" 97.3
8, 8" 97.6
9, 9" 165.9
9, 9" 164.4
10, 10" 105
10, 10" 103.1
OCH3 56.2
1', 1''' 130.3
1', 1''' 130.8
2', 2''' 131.4
2', 2''' 131.3
3', 3''' 128
3', 3''' 128
4', 4''' 157.5
4', 4''' 157.3
5', 5''' 117.8
5', 5''' 117.7
6', 6''' 127.8
6', 6''' 127.8