Spektraris NMR
5,7-Dihydroxy-8-(4”-cinnamoyl-3”-methyl-1”-oxobutyl)-4-phenylcoumarin
Common Name: 5,7-Dihydroxy-8-(4”-cinnamoyl-3”-methyl-1”-oxobutyl)-4-phenylcoumarin
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C29H24O7/c1-18(17-35-25(33)13-12-19-8-4-2-5-9-19)14-22(30)28-24(32)16-23(31)27-21(15-26(34)36-29(27)28)20-10-6-3-7-11-20/h2-13,15-16,18,31-32H,14,17H2,1H3/b13-12+
InChIKey: InChIKey=KYSBNLNFPBYQKY-OUKQBFOZSA-N
Formula: C29H24O7
Molecular Weight: 484.497754
Exact Mass: 484.152203
NMR Solvent: CDCl3
MHz:
Calibration:
NMR references: 13C - Cruz F.G., Moreira L.M., Santos, N.A.S., Guedes, M.L.S. J Braz Chem Soc (2002) 13, 704-7
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) | 158.8 |
| 3 (CH) | 111.8 |
| 4 (C) | 157.7 |
| 5 (C) | 160.4 |
| 6 (CH) | 101 |
| 7 (C) | 168.4 |
| 8 (C) | 104.8 |
| 9 (C) | 155 |
| 10 (C) | 101.2 |
| 1' (C) | 137.4 |
| 2' (CH) | 127.3 |
| 3' (CH) | 128.1 |
| 4' (CH) | 129.6 |
| 5' (CH) | 128.1 |
| 6' (CH) | 127.3 |
| 8a (C) | 204.4 |
| 8b (CH2) | 48.5 |
| 8c (CH) | 30.9 |
| 8d (CH3) | 17.3 |
| 8e (CH2) | 68.9 |
| 8f (C) | 167.2 |
| 8g (CH) | 117.9 |
| 8h (CH) | 144.9 |
| 8i (C) | 134.4 |
| 8j (CH) | 128.8 |
| 8k (CH) | 128.9 |
| 8l (CH) | 130.2 |
| 8m (CH) | 128.9 |
| 8n (CH) | 128.8 |
