Spektraris NMR
5-Methoxy-2,2dimethyl-6-(2-methylbutanoyl)-1O-propyl-2H,8H-benzo[1,2-b:3,4-b']dipyran-8-one
![5-Methoxy-2,2dimethyl-6-(2-methylbutanoyl)-1O-propyl-2H,8H-benzo[1,2-b:3,4-b']dipyran-8-one](/nmr/static/nmr/svg/11076.svg)
Common Name: 5-Methoxy-2,2dimethyl-6-(2-methylbutanoyl)-1O-propyl-2H,8H-benzo[1,2-b:3,4-b']dipyran-8-one
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C23H28O5/c1-7-9-14-12-16(24)27-22-17(14)21-15(10-11-23(4,5)28-21)20(26-6)18(22)19(25)13(3)8-2/h10-13H,7-9H2,1-6H3
InChIKey: InChIKey=CMPWXZUEDIBXSB-UHFFFAOYSA-N
Formula: C23H28O5
Molecular Weight: 384.466291
Exact Mass: 384.193674
NMR Solvent: CDCl3
MHz:
Calibration:
NMR references: 13C - Palmer, C.J., Josephs, J.L. J Chem Soc, Perkin Trans 1 (1995) 0, 3135-52
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) | 159.3 |
| 3 (CH) | 112.7 |
| 4 (C) | 157.2 |
| 5 (C) | 152.6 |
| 6 (C) | 111.1 |
| 7 (C) | 155.4 |
| 8 (C) | 117.8 |
| 9 (C) | 151.9 |
| 10 (C) | 106.4 |
| 1' (CH2) | 38.4 |
| 2' (CH2) | 23 |
| 3' (CH3) | 13.8 |
| 6a (CH) | 116.3 |
| 6b (CH) | 128.7 |
| 6c (C) | 78.1 |
| 6d (CH3) | 27.6 |
| 6e (CH3) | 27.7 |
| 7a (CH3) | 63.9 |
| 8a (C) | 205.8 |
| 8b (CH) | 49 |
| 8c (CH2) | 25.1 |
| 8d (CH3) | 11.4 |
| 8e (CH3) | 14.8 |
