Spektraris NMR
5-methoxy-2,2-dimethyl-6-[(E)-2-methylbut-2-enoyl]-10-propyl-pyrano[2,3-f]chromen-8-one
![5-methoxy-2,2-dimethyl-6-[(E)-2-methylbut-2-enoyl]-10-propyl-pyrano[2,3-f]chromen-8-one](/nmr/static/nmr/svg/11005.svg)
Common Name: 5-methoxy-2,2-dimethyl-6-[(E)-2-methylbut-2-enoyl]-10-propyl-pyrano[2,3-f]chromen-8-one
Synonyms: 5-methoxy-2,2-dimethyl-6-[(E)-2-methylbut-2-enoyl]-10-propyl-pyrano[2,3-f]chromen-8-one
CAS Registry Number:
InChI: InChI=1S/C23H26O5/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/h8,10-12H,7,9H2,1-6H3/b13-8+
InChIKey: InChIKey=RMUWCAYGHBNRQJ-MDWZMJQESA-N
Formula: C23H26O5
Molecular Weight: 382.45041
Exact Mass: 382.178024
NMR Solvent: CDCl3
MHz:
Calibration:
NMR references: 13C - Palmer, R., L., J.J. 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) | 159.8 |
| 3 (CH) | 112.7 |
| 4 (C) | 157.2 |
| 5 (C) | 152.1 |
| 6 (C) | 110.7 |
| 7 (C) | 155.2 |
| 8 (C) | 115.3 |
| 9 (C) | 152.2 |
| 10 (C) | 106.2 |
| 1' (CH2) | 38.4 |
| 2' (CH2) | 23 |
| 3' (CH3) | 13.9 |
| 6a (CH) | 116.5 |
| 6b (CH) | 128.6 |
| 6c (C) | 78 |
| 6d (CH3) | 27.7 |
| 6e (CH3) | 27.7 |
| 7a (CH3) | 63 |
| 8a (C) | 194.3 |
| 8b (C) | 139.8 |
| 8c (CH) | 144 |
| 8d (CH3) | 10.7 |
| 8ba (CH3) | 15.1 |
