Spektraris NMR
5,7-Dihydroxy-6-(3-methylbutanoyl)-8-[(E)-3,7-dimethylocta-2,6-dienyl]-4-phenyl-2H-chromen-2-one
![5,7-Dihydroxy-6-(3-methylbutanoyl)-8-[(E)-3,7-dimethylocta-2,6-dienyl]-4-phenyl-2H-chromen-2-one](/nmr/static/nmr/svg/8377.svg)
Common Name: 5,7-Dihydroxy-6-(3-methylbutanoyl)-8-[(E)-3,7-dimethylocta-2,6-dienyl]-4-phenyl-2H-chromen-2-one
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C30H34O5/c1-18(2)10-9-11-20(5)14-15-22-28(33)27(24(31)16-19(3)4)29(34)26-23(17-25(32)35-30(22)26)21-12-7-6-8-13-21/h6-8,10,12-14,17,19,33-34H,9,11,15-16H2,1-5H3/b20-14-
InChIKey: InChIKey=VRRSSMIKCUVMEF-ZHZULCJRSA-N
Formula: C30H34O5
Molecular Weight: 474.589087
Exact Mass: 474.240624
NMR Solvent: CDCl3
MHz:
Calibration:
NMR references: 13C - Verotta, L., Lovaglio, E., Vidari, G., Finzi, P.V., Neri, M.G., Raimondi, A., Parapini, S., Taramelli, D., Riva, A., Bombardelli, E. Phytochemistry (2004) 65, 2867-79
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) | 159.9 |
| 3 (CH) | 112.9 |
| 4 (C) | 155 |
| 5 (C) | 159.9 |
| 6 (C) | 107.1 |
| 7 (C) | 163 |
| 8 (C) | 107.7 |
| 9 (C) | 156.8 |
| 10 (C) | 101.4 |
| 1' (C) | 139.9 |
| 2' (CH) | 127.6 |
| 3' (CH) | 129.1 |
| 4' (CH) | 129.7 |
| 5' (CH) | 129.1 |
| 6' (CH) | 127.6 |
| 6a (C) | 202 |
| 6b (CH2) | 53.5 |
| 6c (CH) | 24.8 |
| 6d (CH3) | 22.6 |
| 6e (CH3) | 22.6 |
| 8a (CH2) | 21.9 |
| 8b (CH) | 120.6 |
| 8c (C) | 137.8 |
| 8d (CH2) | 16.8 |
| 8e (CH2) | 40 |
| 8f (CH) | 123.9 |
| 8g (C) | 132.1 |
| 8h (CH3) | 26.6 |
| 8i (CH3) | 17.9 |
| 8ca (CH3) | 25.9 |
