Spektraris NMR
7-[(E)-3-methyl-4-(4-methyl-5-oxo-2H-furan-2-yl)but-2-enoxy]chromen-2-one
![7-[(E)-3-methyl-4-(4-methyl-5-oxo-2H-furan-2-yl)but-2-enoxy]chromen-2-one](/nmr/static/nmr/svg/8880.svg)
Common Name: 7-[(E)-3-methyl-4-(4-methyl-5-oxo-2H-furan-2-yl)but-2-enoxy]chromen-2-one
Synonyms: 7-[(E)-3-methyl-4-(4-methyl-5-oxo-2H-furan-2-yl)but-2-enoxy]chromen-2-one
CAS Registry Number:
InChI: InChI=1S/C19H18O5/c1-12(9-16-10-13(2)19(21)23-16)7-8-22-15-5-3-14-4-6-18(20)24-17(14)11-15/h3-7,10-11,16H,8-9H2,1-2H3/b12-7+
InChIKey: InChIKey=CFNMUZCFSDMZPQ-KPKJPENVSA-N
Formula: C19H18O5
Molecular Weight: 326.34394
Exact Mass: 326.115424
NMR Solvent: CDCl3
MHz:
Calibration:
NMR references: 13C - Ngadjui, B.T., Mouncherou, S.M., Ayafor, J.F., Sondengam, B.L., Tillequin, F. Phytochemistry (1991) 30, 2809-11
Species:
Notes: Family : Terpenoids, Type : Meromonoterpenoids, Group : Dimethyloctanes; 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 (CH2) | 65 |
| 2 (CH) | 127.8 |
| 3 (C) | 130.4 |
| 4 (CH2) | 43.2 |
| 5 (CH) | 79.3 |
| 6 (CH) | 148.1 |
| 7 (C) | 136.3 |
| 8 (C) | 173.9 |
| 9 (CH3) | 17.7 |
| 10 (CH3) | 10.7 |
| 2' (C) | 161.8 |
| 3' (CH) | 113 |
| 4' (CH) | 143.4 |
| 5' (CH) | 122.9 |
| 6' (CH) | 113.1 |
| 7' (C) | 161.2 |
| 8' (CH) | 101.5 |
| 9' (C) | 155.8 |
| 10' (C) | 112.6 |
