Spektraris NMR
7-Hydroxy-8-(2-methyl-1-oxobutyl)-4-s-butyl-6í,6í-dimethylpyrano(2í,3í:5,6)-coumarin
Common Name: 7-Hydroxy-8-(2-methyl-1-oxobutyl)-4-s-butyl-6í,6í-dimethylpyrano(2í,3í:5,6)-coumarin
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C23H28O5/c1-7-12(3)15-11-16(24)27-22-17(15)21-14(9-10-23(5,6)28-21)20(26)18(22)19(25)13(4)8-2/h9-13,26H,7-8H2,1-6H3
InChIKey: InChIKey=GGPMQPWYZJKPDC-UHFFFAOYSA-N
Formula: C23H28O5
Molecular Weight: 384.466291
Exact Mass: 384.193674
NMR Solvent: CDCl3
MHz:
Calibration:
NMR references: 13C - Cruz, F.G., Silva-Neto, J.T.d., Guedes, M.L.S. J Braz Chem Soc (2000) 12, 117-22
Species:
Notes: Family : Chromans, Type : Coumarins, Group : 4-Propylcoumarins; 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) | 159.6 |
| 3 (CH) | 107.6 |
| 4 (C) | 164.2 |
| 5 (C) | 102.8 |
| 6 (C) | 156.5 |
| 7 (C) | 106.3 |
| 8 (C) | 162.9 |
| 9 (C) | 104.3 |
| 10 (C) | 157.1 |
| 1' (CH) | 37.5 |
| 2' (CH2) | 29.5 |
| 3' (CH3) | 11.7 |
| 4' (CH3) | 20 |
| 6a (CH) | 116.1 |
| 6b (CH) | 126.3 |
| 6c (C) | 79.6 |
| 6d (CH3) | 28.1 |
| 6e (CH3) | 28.2 |
| 8a (C) | 210.8 |
| 8b (CH) | 46.9 |
| 8c (CH2) | 27.2 |
| 8e (CH3) | 11.8 |
| 8ba (CH3) | 16.6 |
