Spektraris NMR
5,7-Dihydroxy-6-(2-methylbutanoyl)-8-[(E)-3,7-dimethylocta-2,6-dienyl]-4-phenyl-2H-chromen-2-one
![5,7-Dihydroxy-6-(2-methylbutanoyl)-8-[(E)-3,7-dimethylocta-2,6-dienyl]-4-phenyl-2H-chromen-2-one](/nmr/static/nmr/svg/8376.svg)
Common Name: 5,7-Dihydroxy-6-(2-methylbutanoyl)-8-[(E)-3,7-dimethylocta-2,6-dienyl]-4-phenyl-2H-chromen-2-one
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C30H34O5/c1-6-20(5)27(32)26-28(33)22(16-15-19(4)12-10-11-18(2)3)30-25(29(26)34)23(17-24(31)35-30)21-13-8-7-9-14-21/h7-9,11,13-15,17,20,33-34H,6,10,12,16H2,1-5H3/b19-15-
InChIKey: InChIKey=IMVIXRODHNNZOZ-CYVLTUHYSA-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) | 212 |
| 6b (CH) | 47 |
| 6c (CH2) | 27 |
| 6d (CH3) | 12 |
| 6ba (CH3) | 16.6 |
| 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 |
