Spektraris NMR
2,2-Dimethyl-5-hydroxy-6-[(E)-2-methyl-2-butenoyl]-10-propyl-2H,8H-benzo[1,2-b:3,4-b']dipyran-8-one
![2,2-Dimethyl-5-hydroxy-6-[(E)-2-methyl-2-butenoyl]-10-propyl-2H,8H-benzo[1,2-b:3,4-b']dipyran-8-one](/nmr/static/nmr/svg/11080.svg)
Common Name: 2,2-Dimethyl-5-hydroxy-6-[(E)-2-methyl-2-butenoyl]-10-propyl-2H,8H-benzo[1,2-b:3,4-b']dipyran-8-one
Synonyms: 2,2-Dimethyl-5-hydroxy-6-[(E)-2-methyl-2-butenoyl]-10-propyl-2H,8H-benzo[1,2-b:3,4-b']dipyran-8-one
CAS Registry Number:
InChI: InChI=1S/C22H24O5/c1-6-8-13-11-15(23)26-21-16(13)20-14(9-10-22(4,5)27-20)19(25)17(21)18(24)12(3)7-2/h7,9-11,25H,6,8H2,1-5H3/b12-7+
InChIKey: InChIKey=KQOKMHLZCYHWSL-KPKJPENVSA-N
Formula: C22H24O5
Molecular Weight: 368.423792
Exact Mass: 368.162374
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) | 159.2 |
| 3 (CH) | 110.9 |
| 4 (C) | 157.9 |
| 5 (C) | 158.8 |
| 6 (C) | 104.1 |
| 7 (C) | 160.3 |
| 8 (C) | 105.9 |
| 9 (C) | 156 |
| 10 (C) | 102.9 |
| 1' (CH2) | 38.8 |
| 2' (CH2) | 23.2 |
| 3' (CH3) | 14 |
| 6a (CH) | 115.9 |
| 6b (CH) | 126.5 |
| 6c (C) | 79.4 |
| 6d (CH3) | 28.2 |
| 6e (CH3) | 28.2 |
| 8a (C) | 200.9 |
| 8b (C) | 139.4 |
| 8c (CH) | 134.5 |
| 8d (CH3) | 14.3 |
| 8e (CH3) | 13 |
