8-Methyl-4'-methoxysocotrin-3'-ol

8-Methyl-4'-methoxysocotrin-3'-ol

Common Name: 8-Methyl-4'-methoxysocotrin-3'-ol

Synonyms: 2H-​1-​Benzopyran-​7-​ol, 3,​4-​dihydro-​2-​(3-​hydroxy-​4-​methoxyphenyl)​-​6-​[3-​(4-​hydroxy-​ 2-​methoxyphenyl)​-​1-​(4-​hydroxyphenyl)​propyl]​-​8-​methyl-​, (+)​-

CAS Registry Number: 1391997-58-2

InChI:

InChIKey:

Formula: C33H34O7

Molecular Weight: 542.628

Exact Mass: 542.2305

NMR Solvent: CD3OD

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

Calibration: TMS

NMR references: Dai, H., Wang, H., Liu, J., Wu, J., Mei, W. (2012). Two New Biflavonoids From The Stem of Dracaena cambodiana. Chem. Nat. Compd. 48, 376-378.

Species: Dracaena cambodiana - Dai, H., Wang, H., Liu, J., Wu, J., Mei, W. (2012). Two New Biflavonoids From The Stem of Dracaena cambodiana. Chem. Nat. Compd. 48, 376-378.

Notes:

Proton NMR Peaks

Position PPM Peak Type J (Hz)
3 2.1 overlap
3 1.89 m
4 2.82 m
4 2.62 m
5 6.72 s
2' 6.92 d 2
5' 6.88 d 8.3
6' 6.83 overlap
α 2.12 overlap
β 2.44 t 7.8
γ 4.23 t 7.8
3" 6.36 d 2.3
5" 6.27 dd 8.2, 2.2
6" 6.81 overlap
2''', 6''' 7.06 d 8.4
3''', 5''' 6.66 d 8.4
8-OCH3 2.06 s
2"-OCH3 3.72 s
4'-OCH3 3.83 s

Carbon NMR Peaks

Position PPM
2 78.5
3 31.6
4 26
5 126
6 126.7
7 152.1
8 113.5
9 152.6
10 114.5
1' 137
2' 114.1
3' 147.4
4' 148.4
5' 112.6
6' 118.3
α 37.4
β 29.6
γ 43.8
1" 123.3
2" 159.7
3" 99.8
4" 157.6
5" 107.6
6" 131.1
1''' 138.3
2''', 6''' 130.1
3''', 5''' 115.8
4''' 156.1
8-OCH3 9.1
2"-OCH3 55.7
4'-OCH3 56.5