Spektraris NMR
3,5-Dihydroxy-3'-(3-methyl-4-acetoxybutyl)-6,4'-dimethoxy-7-(alpha-D-glucopyranosyloxy)flavone
Common Name: 3,5-Dihydroxy-3'-(3-methyl-4-acetoxybutyl)-6,4'-dimethoxy-7-(alpha-D-glucopyranosyloxy)flavone
Synonyms: 3,5-Dihydroxy-3'-(3-methyl-4-acetoxybutyl)-6,4'-dimethoxy-7-(alpha-D-glucopyranosyloxy)flavone
CAS Registry Number:
InChI: InChI=1S/C30H36O14/c1-13(12-41-14(2)32)5-6-15-9-16(7-8-17(15)39-3)28-26(37)23(34)21-18(42-28)10-19(29(40-4)24(21)35)43-30-27(38)25(36)22(33)20(11-31)44-30/h7-10,13,20,22,25,27,30-31,33,35-38H,5-6,11-12H2,1-4H3/t13?,20-,22-,25+,27-,30+/m1/s1
InChIKey: InChIKey=RKALOQXJCHTVHF-OAAMRGIISA-N
Formula: C30H36O14
Molecular Weight: 620.599613
Exact Mass: 620.210506
NMR Solvent: CD3OD
MHz:
Calibration:
NMR references: 13C - Iqbal, K., Malik, A., Mukhtar, N., Anis, I., Khan, S.N., Choudhary, M.I. Chem Pharm Bull (2004) 52, 785-9
Species:
Notes: Family : Flavonoids, Type : Flavonoids, Group : Flavonols; 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 (C) | 153.2 |
| 3 (C) | 138.4 |
| 4 (C) | 180 |
| 5 (C) | 154.2 |
| 6 (C) | 130.6 |
| 7 (C) | 156.1 |
| 8 (CH) | 94.5 |
| 9 (C) | 153.6 |
| 10 (C) | 106.5 |
| 1' (C) | 122 |
| 2' (CH) | 130.2 |
| 3' (CH) | 131.1 |
| 4' (C) | 159.2 |
| 5' (C) | 116.1 |
| 6' (CH) | 128.3 |
| 1'' (CH) | 99.9 |
| 2'' (CH) | 73.1 |
| 3'' (CH) | 73.6 |
| 4'' (CH) | 71.1 |
| 5'' (CH) | 74.1 |
| 6'' (CH2) | 62.8 |
| 6a (CH3) | 55.6 |
| 4'a (CH3) | 60.1 |
| 5'a (CH2) | 28 |
| 5'b (CH2) | 34.2 |
| 5'c (CH) | 35 |
| 5'd (CH2) | 68.5 |
| 5'f (C) | 175.2 |
| 5'g (CH3) | 23.2 |
| 5'ca (CH3) | 17.2 |
