Spektraris NMR
3,5-Dimethoxy-4'-hydroxy-4-(3,3-dimethylallyl)stilbene
Common Name: 3,5-Dimethoxy-4'-hydroxy-4-(3,3-dimethylallyl)stilbene
Synonyms: 3,5-Dimethoxy-4'-hydroxy-4-(3,3-dimethylallyl)stilbene
CAS Registry Number:
InChI: InChI=1S/C21H24O3/c1-15(2)5-12-19-20(23-3)13-17(14-21(19)24-4)7-6-16-8-10-18(22)11-9-16/h5-11,13-14,22H,12H2,1-4H3/b7-6+
InChIKey: InChIKey=BXJBLAVSDBVABQ-VOTSOKGWSA-N
Formula: C21H24O3
Molecular Weight: 324.414247
Exact Mass: 324.172545
NMR Solvent: CDCl3
MHz:
Calibration:
NMR references: 13C - Magalhaes, A.F., Tozzi, A.M., Magalha s, E.G., de Souza Moraes, V.R. Phytochemistry (2001) 57, 77-89
Species:
Notes: Family : Aromatics, Type : Stilbenes, Group : Stilbenes; 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 |
|---|---|
| 1 (C) | 136.4 |
| 2 (CH) | 102.1 |
| 3 (C) | 158.1 |
| 4 (C) | 117.9 |
| 5 (C) | 158.1 |
| 6 (CH) | 102.1 |
| α (CH) | 127.4 |
| β (CH) | 127.2 |
| 1' (C) | 130.3 |
| 2' (CH) | 127.8 |
| 3' (CH) | 115.6 |
| 4' (C) | 155.1 |
| 5' (CH) | 115.6 |
| 6' (CH) | 127.8 |
| 3a (CH3) | 55.8 |
| 4a (CH2) | 22.3 |
| 4b (CH) | 122.7 |
| 4c (C) | 131.1 |
| 4d (CH3) | 25.8 |
| 4e (CH3) | 17.7 |
| 5a (CH3) | 55.8 |
