Spektraris NMR
5-Hydroxy-6-(2-methylbutyryl)-8-isopropenyl-4-phenyl-8,9-dihydro-2H-furo[2,3-h]-1-benzopyran-2-one
![5-Hydroxy-6-(2-methylbutyryl)-8-isopropenyl-4-phenyl-8,9-dihydro-2H-furo[2,3-h]-1-benzopyran-2-one](/nmr/static/nmr/svg/8380.svg)
Common Name: 5-Hydroxy-6-(2-methylbutyryl)-8-isopropenyl-4-phenyl-8,9-dihydro-2H-furo[2,3-h]-1-benzopyran-2-one
Synonyms: 5-Hydroxy-6-(2-methylbutyryl)-8-isopropenyl-4-phenyl-8,9-dihydro-2H-furo[2,3-h]-1-benzopyran-2-one
CAS Registry Number:
InChI: InChI=1S/C25H24O5/c1-5-14(4)22(27)21-23(28)20-16(15-9-7-6-8-10-15)12-19(26)30-24(20)17-11-18(13(2)3)29-25(17)21/h6-10,12,14,18,28H,2,5,11H2,1,3-4H3
InChIKey: InChIKey=KGQQWXVECQTEJR-UHFFFAOYSA-N
Formula: C25H24O5
Molecular Weight: 404.456
Exact Mass: 404.162374
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) | 159.7 |
| 3 (CH) | 112.1 |
| 4 (C) | 156.5 |
| 5 (C) | 161.9 |
| 6 (C) | 104.6 |
| 7 (C) | 163.2 |
| 8 (C) | 104.6 |
| 9 (C) | 157.7 |
| 10 (C) | 102.5 |
| 1' (C) | 139.3 |
| 2' (CH) | 127.1 |
| 3' (CH) | 127.6 |
| 4' (CH) | 128.9 |
| 5' (CH) | 127.6 |
| 6' (CH) | 127.1 |
| 6a (C) | 215.2 |
| 6b (CH) | 46.5 |
| 6c (CH2) | 26.8 |
| 6d (CH3) | 11.7 |
| 6ba (CH3) | 16.5 |
| 8a (CH2) | 28.6 |
| 8b (CH) | 77.6 |
| 8c (C) | 145.9 |
| 8d (CH3) | 22.6 |
| 8e (CH2) | 110.9 |
