Spektraris NMR
5-Methoxy-2,2-dimethyl-6-[(E)-2-methylbut-2-enoyl]-10-propyl-3,4-dihydro-2H,8H-benzo[1,2-b:3,4-b']dipyran-8-one
![5-Methoxy-2,2-dimethyl-6-[(E)-2-methylbut-2-enoyl]-10-propyl-3,4-dihydro-2H,8H-benzo[1,2-b:3,4-b']dipyran-8-one](/nmr/static/nmr/svg/11087.svg)
Common Name: 5-Methoxy-2,2-dimethyl-6-[(E)-2-methylbut-2-enoyl]-10-propyl-3,4-dihydro-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/h8,12H,7,9-11H2,1-6H3/b13-8+
InChIKey: InChIKey=KAXKAOKLEPQUNE-MDWZMJQESA-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) | 160.2 |
| 3 (CH) | 112.4 |
| 4 (C) | 157.8 |
| 5 (C) | 153.1 |
| 6 (C) | 110.1 |
| 7 (C) | 157.4 |
| 8 (C) | 114 |
| 9 (C) | 151.4 |
| 10 (C) | 105.9 |
| 1' (CH2) | 38.9 |
| 2' (CH2) | 23.2 |
| 3' (CH3) | 13.9 |
| 6a (CH2) | 17.3 |
| 6b (CH2) | 31.4 |
| 6c (C) | 76.1 |
| 6d (CH3) | 26.6 |
| 6e (CH3) | 26.6 |
| 7a (CH3) | 61.4 |
| 8a (C) | 194.9 |
| 8b (C) | 140 |
| 8c (CH) | 143.8 |
| 8d (CH3) | 15.1 |
| 8e (CH3) | 10.7 |
