Spektraris NMR
(3R)-3alpha-(3-Methoxy-4-hydroxybenzyl)-4beta-(3,4-dimethoxybenzyl)tetrahydrofuran
Common Name: (3R)-3alpha-(3-Methoxy-4-hydroxybenzyl)-4beta-(3,4-dimethoxybenzyl)tetrahydrofuran
Synonyms: (3R)-3alpha-(3-Methoxy-4-hydroxybenzyl)-4beta-(3,4-dimethoxybenzyl)tetrahydrofuran
CAS Registry Number:
InChI: InChI=1S/C21H26O5/c1-23-19-7-5-15(11-21(19)25-3)9-17-13-26-12-16(17)8-14-4-6-18(22)20(10-14)24-2/h4-7,10-11,16-17,22H,8-9,12-13H2,1-3H3/t16-,17-/m0/s1
InChIKey: InChIKey=HISPMCYBAUFNFT-IRXDYDNUSA-N
Formula: C21H26O5
Molecular Weight: 358.428938
Exact Mass: 358.178024
NMR Solvent: CDCl3
MHz:
Calibration:
NMR references: 13C - Umehara, K., Sugawa, A., Kuroyanagi, M., Ueno, A., Taki, T. Chem Pharm Bull (1993) 41, 1774-9
Species:
Notes: Family : Lignans, Type : Lignans, Group : Dibenzylbutyrolactones; 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) | 111.1 |
| 3 (C) | 146.4 |
| 4 (C) | 143.9 |
| 5 (CH) | 114.2 |
| 6 (CH) | 121.3 |
| 7 (CH2) | 39.1 |
| 8 (CH) | 46.5 |
| 9 (CH2) | 73.2 |
| 1' (C) | 132.2 |
| 2' (CH) | 111.1 |
| 3' (C) | 148.8 |
| 4' (C) | 147.3 |
| 5' (CH) | 111.9 |
| 6' (CH) | 120.5 |
| 7' (CH2) | 39.1 |
| 8' (CH) | 46.4 |
| 9' (CH2) | 73.2 |
| 3a (CH3) | 55.7 |
| 3'a (CH3) | 55.7 |
| 4'a (CH3) | 55.8 |
