Spektraris NMR
5-Hydroxy-6-[4-(cinnamoyloxy)-3-methylbutyryl]-8,8-dimethyl-4-phenyl-2H,8H-benzo[1,2-b:3,4-b']dipyran-2-one
![5-Hydroxy-6-[4-(cinnamoyloxy)-3-methylbutyryl]-8,8-dimethyl-4-phenyl-2H,8H-benzo[1,2-b:3,4-b']dipyran-2-one](/nmr/static/nmr/svg/5601.svg)
Common Name: 5-Hydroxy-6-[4-(cinnamoyloxy)-3-methylbutyryl]-8,8-dimethyl-4-phenyl-2H,8H-benzo[1,2-b:3,4-b']dipyran-2-one
Synonyms: 5-Hydroxy-6-[4-(cinnamoyloxy)-3-methylbutyryl]-8,8-dimethyl-4-phenyl-2H,8H-benzo[1,2-b:3,4-b']dipyran-2-one
CAS Registry Number:
InChI: InChI=1S/C34H30O7/c1-21(20-39-27(36)15-14-22-10-6-4-7-11-22)18-26(35)30-31(38)29-25(23-12-8-5-9-13-23)19-28(37)40-32(29)24-16-17-34(2,3)41-33(24)30/h4-17,19,21,38H,18,20H2,1-3H3/b15-14+
InChIKey: InChIKey=BIBTVABFCFGSIJ-CCEZHUSRSA-N
Formula: C34H30O7
Molecular Weight: 550.599078
Exact Mass: 550.199153
NMR Solvent: CDCl3
MHz:
Calibration:
NMR references: 13C - Cruz F.G., Moreira L.M., David J.M., Guedes M.L.S., Chavez J.P. Phytochemistry (1998) 47, 1363
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) | 159.9 |
| 3 (CH) | 113.4 |
| 4 (C) | 156.8 |
| 5 (C) | 164.8 |
| 6 (C) | 107.9 |
| 7 (C) | 155.5 |
| 8 (C) | 102.2 |
| 9 (C) | 158.7 |
| 10 (C) | 102.8 |
| 1' (C) | 139.8 |
| 2' (CH) | 127.6 |
| 3' (CH) | 128.2 |
| 4' (CH) | 128.8 |
| 5' (CH) | 128.2 |
| 6' (CH) | 127.6 |
| 6a (C) | 206 |
| 6b (CH2) | 49.1 |
| 6c (CH) | 30 |
| 6d (CH2) | 69.3 |
| 6e (C) | 167.3 |
| 6f (CH) | 118.4 |
| 6g (CH) | 145.5 |
| 6h (C) | 134.9 |
| 6i (CH) | 128.6 |
| 6j (CH) | 129.5 |
| 6k (CH) | 130.9 |
| 6l (CH) | 129.5 |
| 6m (CH) | 128.6 |
| 6ca (CH3) | 17.8 |
| 8a (CH) | 116.1 |
| 8b (CH) | 127 |
| 8c (C) | 80.7 |
| 8d (CH3) | 28.8 |
| 8ca (CH3) | 28.7 |
