Spektraris NMR
2-(2,4-Dihydroxyphenyl)-3-[(2E)-3,7-dimethyl-2,6-octadien-1-yl]-7-hydroxy-4H-chromen-4-one
![2-(2,4-Dihydroxyphenyl)-3-[(2E)-3,7-dimethyl-2,6-octadien-1-yl]-7-hydroxy-4H-chromen-4-one](/nmr/static/nmr/svg/11183.svg)
Common Name: 2-(2,4-Dihydroxyphenyl)-3-[(2E)-3,7-dimethyl-2,6-octadien-1-yl]-7-hydroxy-4H-chromen-4-one
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C25H26O5/c1-15(2)5-4-6-16(3)7-10-21-24(29)20-12-9-18(27)14-23(20)30-25(21)19-11-8-17(26)13-22(19)28/h5,7-9,11-14,26-28H,4,6,10H2,1-3H3/b16-7+
InChIKey: InChIKey=VEQHJLTWOODSMA-FRKPEAEDSA-N
Formula: C25H26O5
Molecular Weight: 406.471882
Exact Mass: 406.178024
NMR Solvent: DMSO-d6
MHz:
Calibration:
NMR references: 13C - Wenkert, E., Gottlieb, H.E. Phytochemistry (1977) 16, 1811-6
Species:
Notes: Family : Flavonoids, Type : Flavonoids, Group : Flavones; 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 |
| 3 (C) | 121.2 |
| 4 (C) | 176.2 |
| 5 (CH) | 126.6 |
| 6 (CH) | 114.4 |
| 7 (C) | 162.1 |
| 8 (CH) | 101.9 |
| 9 (C) | 157.6 |
| 10 (C) | 115.5 |
| 1' (C) | 111.9 |
| 2' (C) | 160 |
| 3' (CH) | 102.9 |
| 4' (C) | 156.1 |
| 5' (CH) | 106.5 |
| 6' (CH) | 130.8 |
| 3a (CH2) | 24.1 |
| 3b (CH) | 122 |
| 3c (C) | 133.9 |
| 3d (CH2) | 39.2 |
| 3e (CH2) | 26.1 |
| 3f (CH) | 124 |
| 3g (C) | 130.3 |
| 3h (CH3) | 25.3 |
| 3ac (CH3) | 15.6 |
| 3ag (CH3) | 17.4 |
