Spektraris NMR
5-Methoxy-8,8-dimethyl-6-(2-methylbutanoyl)-4-propyl-2H,811-benzo[1,2-b:3,4-b']dipyran-2-one
![5-Methoxy-8,8-dimethyl-6-(2-methylbutanoyl)-4-propyl-2H,811-benzo[1,2-b:3,4-b']dipyran-2-one](/nmr/static/nmr/svg/11077.svg)
Common Name: 5-Methoxy-8,8-dimethyl-6-(2-methylbutanoyl)-4-propyl-2H,811-benzo[1,2-b:3,4-b']dipyran-2-one
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C23H28O5/c1-7-9-14-12-16(24)27-20-15-10-11-23(4,5)28-21(15)18(19(25)13(3)8-2)22(26-6)17(14)20/h10-13H,7-9H2,1-6H3
InChIKey: InChIKey=STLDSIKPZBJAEA-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) | 160.1 |
| 3 (CH) | 112.1 |
| 4 (C) | 157 |
| 5 (C) | 155.1 |
| 6 (C) | 122.3 |
| 7 (C) | 152.6 |
| 8 (C) | 106.4 |
| 9 (C) | 150.6 |
| 10 (C) | 107.2 |
| 1' (CH2) | 36.9 |
| 2' (CH2) | 22.4 |
| 3' (CH3) | 13.9 |
| 5a (CH3) | 65.1 |
| 6a (C) | 206.6 |
| 6b (CH) | 49.1 |
| 6c (CH2) | 25 |
| 6d (CH3) | 11.6 |
| 6e (CH3) | 15 |
| 8a (CH) | 115.1 |
| 8b (CH) | 129.5 |
| 8c (C) | 78.4 |
| 8d (CH3) | 28.1 |
| 8e (CH3) | 28.1 |
