Spektraris NMR
3,4'-Dihydroxy-3'-(3-methyl-4-acetoxybutyl)-5,6-dimethoxy-7-(alpha-D-glucopyranosyloxy)flavone
Common Name: 3,4'-Dihydroxy-3'-(3-methyl-4-acetoxybutyl)-5,6-dimethoxy-7-(alpha-D-glucopyranosyloxy)flavone
Synonyms: 3,4'-Dihydroxy-3'-(3-methyl-4-acetoxybutyl)-5,6-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)33)27-25(37)23(35)21-18(42-27)10-19(28(39-3)29(21)40-4)43-30-26(38)24(36)22(34)20(11-31)44-30/h7-10,13,20,22,24,26,30-31,33-34,36-38H,5-6,11-12H2,1-4H3/t13?,20-,22-,24+,26-,30+/m1/s1
InChIKey: InChIKey=HZZDWLYOGZLAAP-BHTRRSMVSA-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) | 153.3 |
| 3 (C) | 138.6 |
| 4 (C) | 180 |
| 5 (C) | 158.5 |
| 6 (C) | 132.1 |
| 7 (C) | 157.4 |
| 8 (CH) | 94.6 |
| 9 (C) | 153.6 |
| 10 (C) | 106.6 |
| 1' (C) | 122 |
| 2' (CH) | 131.1 |
| 3' (CH) | 131.4 |
| 4' (C) | 158.9 |
| 5' (C) | 116.2 |
| 6' (CH) | 128.5 |
| 1'' (CH) | 99.8 |
| 2'' (CH) | 73.2 |
| 3'' (CH) | 73.8 |
| 4'' (CH) | 71.2 |
| 5'' (CH) | 74.1 |
| 6'' (CH2) | 62.9 |
| 5a (CH3) | 61.5 |
| 6a (CH3) | 60.5 |
| 5'a (CH2) | 28.5 |
| 5'b (CH2) | 34.1 |
| 5'c (CH) | 35.2 |
| 5'd (CH2) | 68.9 |
| 5'f (C) | 175.3 |
| 5'g (CH3) | 23.5 |
| 5'ca (CH3) | 17.5 |
