Spektraris NMR
8-Hydroxy-5-methyl-7-(3-methyl-but-2-enyl)-9-(2-methyl-1-oxobutyl)-4,5-dihydropyrano[4,3,2-de]chromen-2-one
![8-Hydroxy-5-methyl-7-(3-methyl-but-2-enyl)-9-(2-methyl-1-oxobutyl)-4,5-dihydropyrano[4,3,2-de]chromen-2-one](/nmr/static/nmr/svg/10995.svg)
Common Name: 8-Hydroxy-5-methyl-7-(3-methyl-but-2-enyl)-9-(2-methyl-1-oxobutyl)-4,5-dihydropyrano[4,3,2-de]chromen-2-one
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C22H26O5/c1-6-12(4)19(24)18-20(25)15(8-7-11(2)3)21-17-14(9-13(5)26-21)10-16(23)27-22(17)18/h7,10,12-13,25H,6,8-9H2,1-5H3/t12-,13?/m0/s1
InChIKey: InChIKey=DJCPAKRYTYQGOM-UEWDXFNNSA-N
Formula: C22H26O5
Molecular Weight: 370.439674
Exact Mass: 370.178024
NMR Solvent: CDCl3
MHz:
Calibration:
NMR references: 13C - Prachyawarakorn, V., Mahidol, C., Ruchirawat, S. Phytochemistry (2006) 67, 924-8
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) | 159.7 |
| 3 (CH) | 105.8 |
| 4 (C) | 149.2 |
| 5 (C) | 156.6 |
| 6 (C) | 113.2 |
| 7 (C) | 167.6 |
| 8 (C) | 103.6 |
| 9 (C) | 154.3 |
| 10 (C) | 99.6 |
| 1' (CH2) | 35 |
| 2' (CH) | 72.6 |
| 3' (CH3) | 20.7 |
| 6a (CH2) | 21.4 |
| 6b (CH) | 121.3 |
| 6c (C) | 132.3 |
| 6d (CH3) | 25.8 |
| 6ca (CH3) | 17.8 |
| 8a (C) | 210.1 |
| 8b (CH) | 46.7 |
| 8c (CH2) | 27 |
| 8d (CH3) | 11.8 |
| 8ba (CH3) | 16.44 |
