Licoagrodin

Licoagrodin

Common Name: Licoagrodin

Synonyms: 5H,​5bH,​10aH-​Benzofuro[2,​3-​b]​[1]​benzopyrano[3',​2':4,​5]​furo[2,​3-​c] ​[1]​benzopyran-​5-​one, 5a,​16a-​dihydro-​2,​8,​13-​trihydroxy-​16a-​[4-​hydroxy-​3-​(3-​methyl- ​2-​buten-​1-​yl)​phenyl]​-​3,​12-​bis(3-​methyl-​2-​buten-​1-​yl)​-​, (5aR,​5bS,​10aR,​15bR,​16aS)​-​rel-

CAS Registry Number: 325144-66-9

InChI:

InChIKey:

Formula: C45H44O9

Molecular Weight: 728.83

Exact Mass: 728.2985

NMR Solvent: acetone-d6

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

Calibration: not indicated

NMR references: Li, W., Asada, Y., Yoshikawa, T. (2000). Flavonoid constituents from Glycyrrhiza glabra hairy root cultures. Phytochemistry 55, 447-456.

Species: Glycyrrhiza glabra - Li, W., Asada, Y., Yoshikawa, T. (2000). Flavonoid constituents from Glycyrrhiza glabra hairy root cultures. Phytochemistry 55, 447-456.

Notes:

Proton NMR Peaks

Position PPM Peak Type J (Hz)
3 3.36 d 12
5 7.56 s
8 6.7 s
2' 7.27 d 2.5
5' 6.8 d 8.5
6' 7.21 dd 8.5, 2.5
17 3.3 dd 14, 7
18 5.34 m
20 1.71 d 1
21 1.74 d 1
22' 3.25 d 7
23' 5.23 m
25' 1.59 d 1
26' 1.69 d 1
2'' 6.32 s
4'' 3.93 d 12
5'' 6.68 d 8.5
6'' 6.45 dd 8.5, 2.5
8'' 6.62 d 2.5
5''' 6.5 d 8.5
6''' 7.23 d 8.5
17''' 3.14 dd 14, 7
17''' 3.2 dd 14, 7
18''' 5.19 m
20''' 1.67 d 1
21''' 1.57 d 1

Carbon NMR Peaks

Position PPM
2 113.2
3 63.4
4 189
5 128.3
6 124.6
7 164
8 103.4
9 159.9
10 112.2
1' 129.3
2' 128
3' 128.5
4' 156.6
5' 115.5
6' 125.5
17 28.2
18 122.9
19 133.1
20 17.78
21 25.9
22' 28.6
23' 122.72
24' 133.4
25' 17.68
26' 25.79
2'' 111.2
3'' 93.5
4'' 50.4
5'' 131.88
6'' 111.6
7'' 159.4
8'' 106.8
9'' 152.3
10'' 113.1
1''' 118.3
2''' 159.3
3''' 111.3
4''' 158.4
5''' 110.2
6''' 123.3
17''' 22.8
18''' 122.69
19''' 131.85
20''' 17.74
21''' 25.77