Spektraris NMR
2-(2'-methoxy-4'-hydroxyphenyl)-5-(3-methylbut-2-enyl)-6-hydroxybenzofuran (addisofuran B)
Common Name: 2-(2'-methoxy-4'-hydroxyphenyl)-5-(3-methylbut-2-enyl)-6-hydroxybenzofuran (addisofuran B)
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C20H20O4/c1-12(2)4-5-13-8-14-9-20(24-18(14)11-17(13)22)16-7-6-15(21)10-19(16)23-3/h4,6-11,21-22H,5H2,1-3H3
InChIKey: InChIKey=QZVJJJNZJBVWPG-UHFFFAOYSA-N
Formula: C20H20O4
Molecular Weight: 324.371153
Exact Mass: 324.136159
NMR Solvent: CDCl3
MHz:
Calibration:
NMR references: 13C - Na, M., Hoang, D.M., Njamen, D., Mbafor, J.T., Fomum, Z.T., Thuong, P.T., Ahn, J.S., Oh, W.K. Bioorg Med Chem Lett (2007) 17, 3868-71
Species:
Notes: Family : Aromatics, Type : Stilbenes, Group : Benzofuranoids; 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) | 123.67 |
| 2 (CH) | 120.93 |
| 3 (C) | 122.94 |
| 4 (C) | 152.28 |
| 5 (CH) | 98.43 |
| 6 (C) | 153.58 |
| α (CH) | 104.22 |
| β (C) | 151.68 |
| 1' (C) | 113.36 |
| 2' (C) | 157.76 |
| 3' (CH) | 99.41 |
| 4' (C) | 156.58 |
| 5' (CH) | 107.62 |
| 6' (CH) | 127.91 |
| 1'' (CH2) | 30.47 |
| 2'' (CH) | 122.51 |
| 3'' (C) | 135.05 |
| 4'' (CH3) | 18.12 |
| 5'' (CH3) | 26.05 |
| 2'a (CH3) | 55.74 |
