Spektraris NMR
5,7-Dihydroxy-6-(2í-hydroxy-3í-methyl-3í-butenyl)-8-(4”-cinnamoyl-3”-methyl-1”-oxobutyl)-4-phenylcoumarin
Common Name: 5,7-Dihydroxy-6-(2í-hydroxy-3í-methyl-3í-butenyl)-8-(4”-cinnamoyl-3”-methyl-1”-oxobutyl)-4-phenylcoumarin
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C34H32O8/c1-20(2)26(35)17-25-32(39)30-24(23-12-8-5-9-13-23)18-29(38)42-34(30)31(33(25)40)27(36)16-21(3)19-41-28(37)15-14-22-10-6-4-7-11-22/h4-15,18,21,26,35,39-40H,1,16-17,19H2,2-3H3/b15-14+
InChIKey: InChIKey=SPBYIPCCSNVXAC-CCEZHUSRSA-N
Formula: C34H32O8
Molecular Weight: 568.614364
Exact Mass: 568.209718
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) | 159.4 |
| 3 (CH) | 111.9 |
| 4 (C) | 156.8 |
| 5 (C) | 161.1 |
| 6 (C) | 110.1 |
| 7 (C) | 166.7 |
| 8 (C) | 103.9 |
| 9 (C) | 156.4 |
| 10 (C) | 102.3 |
| 1' (C) | 139.7 |
| 2' (CH) | 127.1 |
| 3' (CH) | 127.6 |
| 4' (CH) | 128.2 |
| 5' (CH) | 127.6 |
| 6' (CH) | 127.1 |
| 6a (CH2) | 28.8 |
| 6b (CH) | 76.9 |
| 6c (C) | 146.2 |
| 6d (CH2) | 110.6 |
| 6e (CH3) | 18.4 |
| 8a (C) | 204.6 |
| 8b (CH2) | 48.5 |
| 8c (CH) | 30 |
| 8d (CH3) | 17.3 |
| 8e (CH2) | 68.9 |
| 8f (C) | 167.1 |
| 8g (CH) | 117.9 |
| 8h (CH) | 144.8 |
| 8i (C) | 134.3 |
| 8j (CH) | 128.1 |
| 8k (CH) | 128.8 |
| 8l (CH) | 130.3 |
| 8m (CH) | 128.8 |
| 8n (CH) | 128.1 |
