Spektraris NMR
4-Methoxy-6-(3-methyl-2-butenyl)-7H-furo[3,2-g][1]benzopyran-7-one
![4-Methoxy-6-(3-methyl-2-butenyl)-7H-furo[3,2-g][1]benzopyran-7-one](/nmr/static/nmr/svg/4068.svg)
Common Name: 4-Methoxy-6-(3-methyl-2-butenyl)-7H-furo[3,2-g][1]benzopyran-7-one
Synonyms: 4-Methoxy-6-(3-methyl-2-butenyl)-7H-furo[3,2-g][1]benzopyran-7-one
CAS Registry Number:
InChI: InChI=1S/C17H16O4/c1-10(2)4-5-11-8-13-15(21-17(11)18)9-14-12(6-7-20-14)16(13)19-3/h4,6-9H,5H2,1-3H3
InChIKey: InChIKey=YITFANBGOUYLGN-UHFFFAOYSA-N
Formula: C17H16O4
Molecular Weight: 284.307182
Exact Mass: 284.104859
NMR Solvent: CDCl3
MHz:
Calibration:
NMR references: 13C - Franke K., Porzel A., Masaoud M., Adam G., Schmidt J. Phytochemistry (2001) 56, 611-21
Species:
Notes: Family : Chromans, Type : Coumarins, Group : Furocoumarins; 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 |
|---|---|
| 2 (C) | 162.2 |
| 3 (C) | 124.9 |
| 4 (CH) | 133.7 |
| 5 (C) | 148.8 |
| 6 (C) | 112.7 |
| 7 (C) | 157.4 |
| 8 (CH) | 93.5 |
| 2' (CH) | 144.5 |
| 3' (CH) | 104.9 |
| 3a (CH2) | 29.1 |
| 3b (CH) | 119.6 |
| 3c (C) | 135 |
| 3d (CH3) | 17.9 |
| 3ac (CH3) | 25.8 |
| 4a (C) | 107.1 |
| 5a (CH3) | 60.1 |
| 8a (C) | 151.6 |
