Spektraris NMR
3,4-Dihydro-5,7-dihydroxy-6-(2-methylbutyryl)-4-phenylcoumarin
Common Name: 3,4-Dihydro-5,7-dihydroxy-6-(2-methylbutyryl)-4-phenylcoumarin
Synonyms: 3,4-Dihydro-5,7-dihydroxy-6-(2-methylbutyryl)-4-phenylcoumarin
CAS Registry Number:
InChI: InChI=1S/C20H20O5/c1-3-11(2)19(23)18-14(21)10-15-17(20(18)24)13(9-16(22)25-15)12-7-5-4-6-8-12/h4-8,10-11,13,21,24H,3,9H2,1-2H3
InChIKey: InChIKey=COJFWZWURGCRDL-UHFFFAOYSA-N
Formula: C20H20O5
Molecular Weight: 340.370558
Exact Mass: 340.131074
NMR Solvent: CDCl3
MHz:
Calibration:
NMR references: 13C - Ramiandrawa, F., Kresch, N., Poissof, J. Tetrahedron (1983) 39, 3923-8
Species:
Notes: Family : Flavonoids, Type : Dihydro-neoflavonoids; 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) | 167.8 |
| 3 (CH2) | 36.8 |
| 4 (CH) | 34 |
| 5 (C) | 156.2 |
| 6 (C) | 106.9 |
| 7 (C) | 160.6 |
| 8 (CH) | 94.9 |
| 9 (C) | 160 |
| 10 (C) | 103.9 |
| 1' (C) | 141.1 |
| 2' (CH) | 126.4 |
| 3' (CH) | 127 |
| 4' (CH) | 128.7 |
| 5' (CH) | 127 |
| 6' (CH) | 126.4 |
| 6a (C) | 211.4 |
| 6b (CH) | 46 |
| 6c (CH2) | 26.6 |
| 6d (CH3) | 11.6 |
| 6ba (CH3) | 16.1 |
