Spektraris NMR
5,7-dihydroxy-8-(3-methylbut-2-enyl)-4-phenylchromen-2-one
Common Name: 5,7-dihydroxy-8-(3-methylbut-2-enyl)-4-phenylchromen-2-one
Synonyms: 5,7-dihydroxy-8-(3-methylbut-2-enyl)-4-phenylchromen-2-one
CAS Registry Number:
InChI: InChI=1S/C20H18O4/c1-12(2)8-9-14-16(21)11-17(22)19-15(10-18(23)24-20(14)19)13-6-4-3-5-7-13/h3-8,10-11,21-22H,9H2,1-2H3
InChIKey: InChIKey=SRGRDIADLLPPQM-UHFFFAOYSA-N
Formula: C20H18O4
Molecular Weight: 322.355271
Exact Mass: 322.120509
NMR Solvent: CDCl3
MHz:
Calibration:
NMR references: 13C - Lopez-Perez, J.L., Olmedo, D.A., Del Olmo, E., Vasquez, Y., Solis, P.N., Gupta, M.P., San Feliciano, A. J Nat Prod (2005) 68, 369-73
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) | 160.9 |
| 3 (CH) | 112 |
| 4 (C) | 154 |
| 5 (C) | 153.4 |
| 6 (CH) | 100.8 |
| 7 (C) | 159.4 |
| 8 (C) | 108 |
| 9 (C) | 153.4 |
| 10 (C) | 100.8 |
| 1' (C) | 137 |
| 2' (CH) | 127.5 |
| 3' (CH) | 129.7 |
| 4' (CH) | 129.9 |
| 5' (CH) | 129.7 |
| 6' (CH) | 127.5 |
| 8a (CH2) | 22.1 |
| 8b (CH) | 121.1 |
| 8c (C) | 135.5 |
| 8d (CH3) | 25.9 |
| 8e (CH3) | 18.1 |
