Spektraris NMR
2,3-bis[(3,4,5-trimethoxyphenyl)methyl]butane-1,4-diol
![2,3-bis[(3,4,5-trimethoxyphenyl)methyl]butane-1,4-diol](/nmr/static/nmr/svg/17346.svg)
Common Name: 2,3-bis[(3,4,5-trimethoxyphenyl)methyl]butane-1,4-diol
Synonyms: 2,3-bis[(3,4,5-trimethoxyphenyl)methyl]butane-1,4-diol
CAS Registry Number:
InChI: InChI=1S/C24H34O8/c1-27-19-9-15(10-20(28-2)23(19)31-5)7-17(13-25)18(14-26)8-16-11-21(29-3)24(32-6)22(12-16)30-4/h9-12,17-18,25-26H,7-8,13-14H2,1-6H3
InChIKey: InChIKey=WMXGWZMIXCNJLL-UHFFFAOYSA-N
Formula: C24H34O8
Molecular Weight: 450.522887
Exact Mass: 450.225368
NMR Solvent: CDCl3
MHz:
Calibration:
NMR references: 13C - Ngouela, S., Tsamo, E., Connolly, J.D. Phytochemistry (1994) 37, 867-9
Species:
Notes: Family : Lignans, Type : Lignans, Group : Dibenzylbutanes; 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) | 136.3 |
| 2 (CH) | 105.8 |
| 3 (C) | 153.1 |
| 4 (C) | 136.1 |
| 5 (C) | 153.1 |
| 6 (CH) | 105.8 |
| 7 (CH2) | 36.6 |
| 8 (CH) | 43.7 |
| 9 (CH2) | 60.5 |
| 1' (C) | 136.3 |
| 2' (CH) | 105.8 |
| 3' (C) | 153.1 |
| 4' (C) | 136.1 |
| 5' (C) | 153.1 |
| 6' (CH) | 105.8 |
| 7' (CH2) | 36.6 |
| 8' (CH) | 43.7 |
| 9' (CH2) | 60.4 |
| 3a (CH3) | 56 |
| 4a (CH3) | 60.8 |
| 5a (CH3) | 56 |
| 3'a (CH3) | 56 |
| 4'a (CH3) | 60.8 |
| 5'a (CH3) | 56 |
