Spektraris NMR
8-Hydroxy-5-methyl-7-(3,7-dimethyl-octa-2,6-dienyl)-9-(2-methyl-1-oxobutyl)-4,5-dihydropyrano[4,3,2-de]chromen-2-one
![8-Hydroxy-5-methyl-7-(3,7-dimethyl-octa-2,6-dienyl)-9-(2-methyl-1-oxobutyl)-4,5-dihydropyrano[4,3,2-de]chromen-2-one](/nmr/static/nmr/svg/10998.svg)
Common Name: 8-Hydroxy-5-methyl-7-(3,7-dimethyl-octa-2,6-dienyl)-9-(2-methyl-1-oxobutyl)-4,5-dihydropyrano[4,3,2-de]chromen-2-one
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C27H34O5/c1-7-17(5)24(29)23-25(30)20(12-11-16(4)10-8-9-15(2)3)26-22-19(13-18(6)31-26)14-21(28)32-27(22)23/h9,11,14,17-18,30H,7-8,10,12-13H2,1-6H3/b16-11+/t17-,18?/m1/s1
InChIKey: InChIKey=PESLJCBFGPLDGJ-WCABXTPLSA-N
Formula: C27H34O5
Molecular Weight: 438.556879
Exact Mass: 438.240624
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) | 113.3 |
| 7 (C) | 167.5 |
| 8 (C) | 103.5 |
| 9 (C) | 154.3 |
| 10 (C) | 99.6 |
| 1' (CH2) | 35 |
| 2' (CH) | 72.6 |
| 3' (CH3) | 20.6 |
| 6a (CH2) | 21.3 |
| 6b (CH) | 121.2 |
| 6c (C) | 135.7 |
| 6d (CH2) | 39.7 |
| 6e (CH2) | 26.6 |
| 6f (CH) | 124.3 |
| 6g (C) | 131.3 |
| 6h (CH3) | 25.7 |
| 6ca (CH3) | 16.1 |
| 6ga (CH3) | 17.6 |
| 8a (C) | 210 |
| 8b (CH) | 46.7 |
| 8c (CH2) | 27.1 |
| 8d (CH3) | 11.8 |
| 8ba (CH3) | 16.43 |
