Spektraris NMR
4-Methoxy-9-(2,3-dihydroxy-1,1-dimethylpropyl)-7H-furo[3,2-g][1]benzopyran-7-one
![4-Methoxy-9-(2,3-dihydroxy-1,1-dimethylpropyl)-7H-furo[3,2-g][1]benzopyran-7-one](/nmr/static/nmr/svg/4073.svg)
Common Name: 4-Methoxy-9-(2,3-dihydroxy-1,1-dimethylpropyl)-7H-furo[3,2-g][1]benzopyran-7-one
Synonyms: 4-Methoxy-9-(2,3-dihydroxy-1,1-dimethylpropyl)-7H-furo[3,2-g][1]benzopyran-7-one
CAS Registry Number:
InChI: InChI=1S/C17H18O6/c1-17(2,11(19)8-18)13-15-10(6-7-22-15)14(21-3)9-4-5-12(20)23-16(9)13/h4-7,11,18-19H,8H2,1-3H3
InChIKey: InChIKey=PEIKVIYNHNSILV-UHFFFAOYSA-N
Formula: C17H18O6
Molecular Weight: 318.321873
Exact Mass: 318.110338
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) | 160.6 |
| 3 (CH) | 112.2 |
| 4 (CH) | 139.7 |
| 5 (C) | 148.3 |
| 6 (C) | 114.6 |
| 7 (C) | 157.2 |
| 8 (C) | 112.8 |
| 2' (CH) | 144.2 |
| 3' (CH) | 104.2 |
| 4a (C) | 107.7 |
| 5a (CH3) | 60.8 |
| 8a (C) | 150.6 |
| 8b (C) | 42.7 |
| 8c (CH) | 76.8 |
| 8d (CH2) | 63.9 |
| 8ab (CH3) | 26 |
| 8bb (CH3) | 24.1 |
