Spektraris NMR
5-Methoxy-8,8-dimethyl-6-[(E)-2-methylbut-2-enoyl]-4-propyl-2H,8H-benzo[1,2-b:3,4-b']dipyran-8-one
![5-Methoxy-8,8-dimethyl-6-[(E)-2-methylbut-2-enoyl]-4-propyl-2H,8H-benzo[1,2-b:3,4-b']dipyran-8-one](/nmr/static/nmr/svg/11081.svg)
Common Name: 5-Methoxy-8,8-dimethyl-6-[(E)-2-methylbut-2-enoyl]-4-propyl-2H,8H-benzo[1,2-b:3,4-b']dipyran-8-one
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C23H26O5/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/h8,10-12H,7,9H2,1-6H3/b13-8+
InChIKey: InChIKey=XVGUVZADAHJOSK-MDWZMJQESA-N
Formula: C23H26O5
Molecular Weight: 382.45041
Exact Mass: 382.178024
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) | 160.3 |
| 3 (CH) | 111.9 |
| 4 (C) | 157.4 |
| 5 (C) | 155.3 |
| 6 (C) | 119.6 |
| 7 (C) | 153.1 |
| 8 (C) | 106 |
| 9 (C) | 150.6 |
| 10 (C) | 107 |
| 1' (CH2) | 37.2 |
| 2' (CH2) | 22.5 |
| 3' (CH3) | 14 |
| 5a (CH3) | 63.7 |
| 6a (C) | 195.3 |
| 6b (C) | 139.7 |
| 6c (CH) | 142.8 |
| 6d (CH3) | 15 |
| 6e (CH3) | 10.6 |
| 8a (CH) | 115.2 |
| 8b (CH) | 129.5 |
| 8c (C) | 78.1 |
| 8d (CH3) | 28 |
| 8e (CH3) | 28 |
