Spektraris NMR
6-(4-Hydroxy-3-methylbutyryl)-5,7-dihydroxy-8-(3-methyl-2-butenyl)-4-phenyl-2H-1-benzopyran-2-one
Common Name: 6-(4-Hydroxy-3-methylbutyryl)-5,7-dihydroxy-8-(3-methyl-2-butenyl)-4-phenyl-2H-1-benzopyran-2-one
Synonyms: 6-(4-Hydroxy-3-methylbutyryl)-5,7-dihydroxy-8-(3-methyl-2-butenyl)-4-phenyl-2H-1-benzopyran-2-one
CAS Registry Number:
InChI: InChI=1S/C25H26O6/c1-14(2)9-10-17-23(29)22(19(27)11-15(3)13-26)24(30)21-18(12-20(28)31-25(17)21)16-7-5-4-6-8-16/h4-9,12,15,26,29-30H,10-11,13H2,1-3H3
InChIKey: InChIKey=WJEIZADSLGSKHN-UHFFFAOYSA-N
Formula: C25H26O6
Molecular Weight: 422.471287
Exact Mass: 422.172939
NMR Solvent: CDCl3
MHz:
Calibration:
NMR references: 13C - Cruz F.G., Moreira L.M., David J.M., Guedes M.L.S., Chavez J.P. Phytochemistry (1998) 47, 1363
Species:
Notes: Family : Flavonoids, Type : Neoflavonoids; 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) | 160 |
| 3 (CH) | 112.4 |
| 4 (C) | 155.5 |
| 5 (C) | 156.4 |
| 6 (C) | 105.6 |
| 7 (C) | 167.6 |
| 8 (C) | 113.4 |
| 9 (C) | 158 |
| 10 (C) | 101.3 |
| 1' (C) | 137.5 |
| 2' (CH) | 128 |
| 3' (CH) | 130 |
| 4' (CH) | 130.7 |
| 5' (CH) | 130 |
| 6' (CH) | 128 |
| 6a (C) | 206.6 |
| 6b (CH2) | 49.4 |
| 6c (CH) | 33.7 |
| 6d (CH2) | 68.5 |
| 6ca (CH3) | 17 |
| 8a (CH2) | 22.1 |
| 8b (CH) | 121.3 |
| 8c (C) | 134.6 |
| 8d (CH3) | 26.2 |
| 8ca (CH3) | 17 |
