Spektraris NMR
3,4-Dihydro-5-hydroxy-2,2-dimethylǃÏ6-(2-methylbutanoyl)-4-oxo-10-phenyl-2H-pyrano[2,3-f]chromen-8-one
![3,4-Dihydro-5-hydroxy-2,2-dimethylǃÏ6-(2-methylbutanoyl)-4-oxo-10-phenyl-2H-pyrano[2,3-f]chromen-8-one](/nmr/static/nmr/svg/8385.svg)
Common Name: 3,4-Dihydro-5-hydroxy-2,2-dimethylǃÏ6-(2-methylbutanoyl)-4-oxo-10-phenyl-2H-pyrano[2,3-f]chromen-8-one
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C25H24O6/c1-5-13(2)21(28)20-22(29)19-16(26)12-25(3,4)31-24(19)18-15(11-17(27)30-23(18)20)14-9-7-6-8-10-14/h6-11,13,29H,5,12H2,1-4H3
InChIKey: InChIKey=SEJOCTXYOIABDE-UHFFFAOYSA-N
Formula: C25H24O6
Molecular Weight: 420.455405
Exact Mass: 420.157289
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) | 113.6 |
| 4 (C) | 159.6 |
| 5 (C) | 155.3 |
| 6 (C) | 112 |
| 7 (C) | 162.3 |
| 8 (C) | 104 |
| 9 (C) | 155.3 |
| 10 (C) | 102.4 |
| 1' (C) | 139.7 |
| 2' (CH) | 127.2 |
| 3' (CH) | 128.2 |
| 4' (CH) | 128.5 |
| 5' (CH) | 128.2 |
| 6' (CH) | 127.2 |
| 6a (C) | 197.4 |
| 6b (CH2) | 47.7 |
| 6c (C) | 81.3 |
| 6d (CH3) | 26.1 |
| 6e (CH3) | 26.1 |
| 8a (C) | 204.5 |
| 8b (CH) | 49.4 |
| 8c (CH2) | 25.7 |
| 8d (CH3) | 12 |
| 8ba (CH3) | 15.3 |
