Spektraris NMR
7-Hydroxy-8-(4”-cinnamoyl-3”-methyl-1”-oxobutyl)-2í-(2-hydroxyisopropyl) dihydrofuran-(5í,4í:5,6)-4-phenylcoumarin
Common Name: 7-Hydroxy-8-(4”-cinnamoyl-3”-methyl-1”-oxobutyl)-2í-(2-hydroxyisopropyl) dihydrofuran-(5í,4í:5,6)-4-phenylcoumarin
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C34H32O8/c1-20(19-40-27(36)15-14-21-10-6-4-7-11-21)16-25(35)30-31(38)24-17-26(34(2,3)39)41-32(24)29-23(18-28(37)42-33(29)30)22-12-8-5-9-13-22/h4-15,18,20,26,38-39H,16-17,19H2,1-3H3/b15-14+
InChIKey: InChIKey=RHDLKFBEHBDFTF-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) | 159.2 |
| 3 (CH) | 111.7 |
| 4 (C) | 155.4 |
| 5 (C) | 162.9 |
| 6 (C) | 110.6 |
| 7 (C) | 164 |
| 8 (C) | 105.7 |
| 9 (C) | 157.7 |
| 10 (C) | 99.3 |
| 1' (C) | 138.6 |
| 2' (CH) | 128.7 |
| 3' (CH) | 129.4 |
| 4' (CH) | 128 |
| 5' (CH) | 129.4 |
| 6' (CH) | 128.7 |
| 6a (CH2) | 27.3 |
| 6b (CH) | 93.3 |
| 6c (C) | 72.1 |
| 6d (CH3) | 25.3 |
| 6e (CH3) | 23.9 |
| 8a (C) | 205.4 |
| 8b (CH2) | 49.1 |
| 8c (CH) | 30.8 |
| 8d (CH3) | 17.9 |
| 8e (CH2) | 69.4 |
| 8f (C) | 167.4 |
| 8g (CH) | 118.7 |
| 8h (CH) | 145.2 |
| 8i (C) | 135.1 |
| 8j (CH) | 128.7 |
| 8k (CH) | 129.4 |
| 8l (CH) | 130.7 |
| 8m (CH) | 129.4 |
| 8n (CH) | 128.7 |
