Spektraris NMR
4-Hydroxy-3,3',5,-trimethoxybibenzyl
Common Name: 4-Hydroxy-3,3',5,-trimethoxybibenzyl
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C17H20O4/c1-19-14-6-4-5-12(9-14)7-8-13-10-15(20-2)17(18)16(11-13)21-3/h4-6,9-11,18H,7-8H2,1-3H3
InChIKey: InChIKey=PHWXLXPIQUQYHN-UHFFFAOYSA-N
Formula: C17H20O4
Molecular Weight: 288.338945
Exact Mass: 288.136159
NMR Solvent: CD3COCD3
MHz:
Calibration:
NMR references: 13C - Ye, Q., Zhao, W. Planta Med (2002) 68, 723-9
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) | 132.9 |
| 2 (CH) | 106.8 |
| 3 (C) | 148.5 |
| 4 (C) | 134.8 |
| 5 (C) | 148.5 |
| 6 (CH) | 106.8 |
| α (CH2) | 38.4 |
| β (CH2) | 38.8 |
| 1' (C) | 144.4 |
| 2' (CH) | 114.9 |
| 3' (C) | 160.6 |
| 4' (CH) | 111.9 |
| 5' (CH) | 129.9 |
| 6' (CH) | 121.6 |
| 3a (CH3) | 56.5 |
| 5a (CH3) | 56.5 |
| 3'b (CH3) | 55.3 |
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The Spektraris NMR database is developed and hosted by the Lange laboratory at WSU. CAS Registry Number is a Registered Trademark of the American Chemical Society.