Spektraris NMR
5,7-Dihydroxy-8-(2-methylbutyryl)-6-[(E)-3,7-dimethyl-2,6-octadienyl]-4-phenyl-2H-1-benzopyran-2-one
![5,7-Dihydroxy-8-(2-methylbutyryl)-6-[(E)-3,7-dimethyl-2,6-octadienyl]-4-phenyl-2H-1-benzopyran-2-one](/nmr/static/nmr/svg/8379.svg)
Common Name: 5,7-Dihydroxy-8-(2-methylbutyryl)-6-[(E)-3,7-dimethyl-2,6-octadienyl]-4-phenyl-2H-1-benzopyran-2-one
Synonyms: 5,7-Dihydroxy-8-(2-methylbutyryl)-6-[(E)-3,7-dimethyl-2,6-octadienyl]-4-phenyl-2H-1-benzopyran-2-one
CAS Registry Number:
InChI: InChI=1S/C30H34O5/c1-6-20(5)27(32)26-29(34)22(16-15-19(4)12-10-11-18(2)3)28(33)25-23(17-24(31)35-30(25)26)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=NTNREFYHTKELSQ-XDJHFCHBSA-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) | 158.6 |
| 3 (CH) | 112 |
| 4 (C) | 157 |
| 5 (C) | 154.2 |
| 6 (C) | 112.4 |
| 7 (C) | 166.8 |
| 8 (C) | 104 |
| 9 (C) | 155.4 |
| 10 (C) | 100.4 |
| 1' (C) | 137.8 |
| 2' (CH) | 127.4 |
| 3' (CH) | 129.3 |
| 4' (CH) | 129.9 |
| 5' (CH) | 129.3 |
| 6' (CH) | 127.4 |
| 6a (CH2) | 21.4 |
| 6b (CH) | 120.5 |
| 6c (C) | 137 |
| 6d (CH2) | 39.5 |
| 6e (CH2) | 26.4 |
| 6f (CH) | 123.8 |
| 6g (C) | 131.5 |
| 6h (CH3) | 17.5 |
| 6i (CH3) | 25.5 |
| 6ca (CH3) | 16.1 |
| 8a (C) | 210.5 |
| 8b (CH) | 46.8 |
| 8c (CH2) | 27.1 |
| 8d (CH3) | 11.7 |
| 8ba (CH3) | 16.5 |
