3-(3,4-Dimethoxyphenyl)-5-hydroxy-7-(beta-D-glucopyranosyloxy)-8-(3-hydroxy-3-methylbutyl)-4H-1-benzopyran-4-one

3-(3,4-Dimethoxyphenyl)-5-hydroxy-7-(beta-D-glucopyranosyloxy)-8-(3-hydroxy-3-methylbutyl)-4H-1-benzopyran-4-one

Common Name: 3-(3,4-Dimethoxyphenyl)-5-hydroxy-7-(beta-D-glucopyranosyloxy)-8-(3-hydroxy-3-methylbutyl)-4H-1-benzopyran-4-one

Synonyms: 3-(3,4-Dimethoxyphenyl)-5-hydroxy-7-(beta-D-glucopyranosyloxy)-8-(3-hydroxy-3-methylbutyl)-4H-1-benzopyran-4-one

CAS Registry Number:

InChI: InChI=1S/C28H34O12/c1-28(2,35)8-7-14-18(39-27-25(34)24(33)23(32)20(11-29)40-27)10-16(30)21-22(31)15(12-38-26(14)21)13-5-6-17(36-3)19(9-13)37-4/h5-6,9-10,12,20,23-25,27,29-30,32-35H,7-8,11H2,1-4H3/t20-,23-,24+,25-,27-/m1/s1

InChIKey: InChIKey=AQOVBCDOFOOETK-KAPITKBASA-N

Formula: C28H34O12

Molecular Weight: 562.56345

Exact Mass: 562.205027

NMR Solvent: C5D5N

MHz:

Calibration:

NMR references: 13C - Hosny, M., Rosazza, J.P. J Nat Prod (1999) 62, 853-8

Species:

Notes: Family : Flavonoids, Type : Isoflavonoids, Group : Isoflavones; 13 C Spectrum from Naproc 13: José Luis López-Pérez, Roberto Therón, Esther del Olmo, David Díaz: NAPROC-13: a database for the dereplication of natural product mixtures in bioassay-guided protocols. Bioinformatics 23(23):3256-3257 (2007)

Carbon NMR Peaks

Position PPM
2 (CH) 155.1
3 (C) 122.4
4 (C) 181.05
5 (C) 161.62
6 (CH) 97.59
7 (C) 161.85
8 (C) 105.2
9 (C) 156.77
10 (C) 105.7
1' (C) 124.45
2' (CH) 111.83
3' (C) 147.91
4' (C) 148.96
5' (CH) 111.31
6' (CH) 120.52
1'' (CH) 99.6
2'' (CH) 73.49
3'' (CH) 77.9
4'' (CH) 70.95
5'' (CH) 78.14
6'' (CH2) 62.1
1''' (CH2) 43.53
2''' (CH2) 17.66
3''' (C) 68.94
4''' (CH3) 31
5''' (CH3) 29.13
3'a (CH3) 55.92
4'a (CH3) 55.98