Spektraris NMR
2-[2'-methoxy-4'-hydroxy-5'-(3-methylbut-2-enyl)phenyl]-6-hydroxybenzofuran (addisofuran A)
![2-[2'-methoxy-4'-hydroxy-5'-(3-methylbut-2-enyl)phenyl]-6-hydroxybenzofuran (addisofuran A)](/nmr/static/nmr/svg/20170.svg)
Common Name: 2-[2'-methoxy-4'-hydroxy-5'-(3-methylbut-2-enyl)phenyl]-6-hydroxybenzofuran (addisofuran A)
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C20H20O4/c1-12(2)4-5-13-8-16(19(23-3)11-17(13)22)20-9-14-6-7-15(21)10-18(14)24-20/h4,6-11,21-22H,5H2,1-3H3
InChIKey: InChIKey=XQVKBMIVACNFLX-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) | 123.99 |
| 2 (CH) | 121.07 |
| 3 (CH) | 111.68 |
| 4 (C) | 153.26 |
| 5 (CH) | 98.15 |
| 6 (C) | 154.76 |
| α (CH) | 104.26 |
| β (C) | 152.15 |
| 1' (C) | 112.64 |
| 2' (C) | 156.39 |
| 3' (CH) | 100.11 |
| 4' (C) | 155.64 |
| 5' (C) | 118.59 |
| 6' (CH) | 128.26 |
| 1'' (CH2) | 30.01 |
| 2'' (CH) | 122.23 |
| 3'' (C) | 135.68 |
| 4'' (CH3) | 18.19 |
| 5'' (CH3) | 26.05 |
| 2'a (CH3) | 55.87 |
