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)
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 |