Spektraris NMR
2-[2',4'-dihydroxy-3'-(3-methylbut-2-enyl)]-6-hydroxybenzofuran
![2-[2',4'-dihydroxy-3'-(3-methylbut-2-enyl)]-6-hydroxybenzofuran](/nmr/static/nmr/svg/20169.svg)
Common Name: 2-[2',4'-dihydroxy-3'-(3-methylbut-2-enyl)]-6-hydroxybenzofuran
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C19H18O4/c1-11(2)3-6-14-16(21)8-7-15(19(14)22)18-9-12-4-5-13(20)10-17(12)23-18/h3-5,7-10,20-22H,6H2,1-2H3
InChIKey: InChIKey=JTWAOWXXBMXCGP-UHFFFAOYSA-N
Formula: C19H18O4
Molecular Weight: 310.344535
Exact Mass: 310.120509
NMR Solvent: CD3COCD3
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) | 122.91 |
| 2 (CH) | 121.54 |
| 3 (CH) | 112.92 |
| 4 (C) | 156.13 |
| 5 (CH) | 98.5 |
| 6 (C) | 155.87 |
| α (CH) | 103.16 |
| β (C) | 154.15 |
| 1' (C) | 111.23 |
| 2' (C) | 153.72 |
| 3' (C) | 116.62 |
| 4' (C) | 157.12 |
| 5' (CH) | 108.78 |
| 6' (CH) | 125.72 |
| 1'' (CH2) | 23.05 |
| 2'' (CH) | 123.66 |
| 3'' (C) | 132.12 |
| 4'' (CH3) | 18.07 |
| 5'' (CH3) | 25.98 |
