Spektraris NMR
4,9-Dimethoxy-6-(3-methyl-2-butenyl)-7H-furo[3,2-g][1]benzopyran-7-one
![4,9-Dimethoxy-6-(3-methyl-2-butenyl)-7H-furo[3,2-g][1]benzopyran-7-one](/nmr/static/nmr/svg/4069.svg)
Common Name: 4,9-Dimethoxy-6-(3-methyl-2-butenyl)-7H-furo[3,2-g][1]benzopyran-7-one
Synonyms: 4,9-Dimethoxy-6-(3-methyl-2-butenyl)-7H-furo[3,2-g][1]benzopyran-7-one
CAS Registry Number:
InChI: InChI=1S/C18H18O5/c1-10(2)5-6-11-9-13-14(20-3)12-7-8-22-15(12)17(21-4)16(13)23-18(11)19/h5,7-9H,6H2,1-4H3
InChIKey: InChIKey=OHPPUYMAEOCFNJ-UHFFFAOYSA-N
Formula: C18H18O5
Molecular Weight: 314.333204
Exact Mass: 314.115424
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) | 161.3 |
| 3 (C) | 125.2 |
| 4 (CH) | 133.7 |
| 5 (C) | 143.4 |
| 6 (C) | 114.9 |
| 7 (C) | 148.8 |
| 8 (C) | 128 |
| 2' (CH) | 144.8 |
| 3' (CH) | 104.9 |
| 3a (CH2) | 29.2 |
| 3b (CH) | 119.5 |
| 3c (C) | 135 |
| 3d (CH3) | 18 |
| 3ac (CH3) | 25.9 |
| 4a (C) | 108.4 |
| 5a (CH3) | 60.9 |
| 8a (C) | 142.6 |
| 8b (CH3) | 61.7 |
