Spektraris NMR
4,9-Dimethoxy-6-(2,3-dihydroxy-3-methylbutyl)-7H-furo[3,2-g][1]benzopyran-7-one
![4,9-Dimethoxy-6-(2,3-dihydroxy-3-methylbutyl)-7H-furo[3,2-g][1]benzopyran-7-one](/nmr/static/nmr/svg/4072.svg)
Common Name: 4,9-Dimethoxy-6-(2,3-dihydroxy-3-methylbutyl)-7H-furo[3,2-g][1]benzopyran-7-one
Synonyms: 4,9-Dimethoxy-6-(2,3-dihydroxy-3-methylbutyl)-7H-furo[3,2-g][1]benzopyran-7-one
CAS Registry Number:
InChI: InChI=1S/C18H20O7/c1-18(2,21)12(19)8-9-7-11-13(22-3)10-5-6-24-14(10)16(23-4)15(11)25-17(9)20/h5-7,12,19,21H,8H2,1-4H3
InChIKey: InChIKey=ZGVWUTLWBHFMNG-UHFFFAOYSA-N
Formula: C18H20O7
Molecular Weight: 348.347896
Exact Mass: 348.120903
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) | 162.6 |
| 3 (C) | 123 |
| 4 (CH) | 137 |
| 5 (C) | 143.6 |
| 6 (C) | 114.9 |
| 7 (C) | 149.2 |
| 8 (C) | 127.9 |
| 2' (CH) | 144.9 |
| 3' (CH) | 105 |
| 3a (CH2) | 34.2 |
| 3b (CH) | 77.2 |
| 3c (C) | 72.9 |
| 3d (CH3) | 26.3 |
| 3ac (CH3) | 24 |
| 4a (C) | 108.1 |
| 5a (CH3) | 60.8 |
| 8a (C) | 142.8 |
| 8b (CH3) | 61.7 |
