Spektraris NMR
2,3-dihydro-5-hydroxy-2-(1-methylethenyl)-7H-pyrano[2,3-g][1,4]benzodioxin-7-one (º8-hydroxyobliquin)
![2,3-dihydro-5-hydroxy-2-(1-methylethenyl)-7H-pyrano[2,3-g][1,4]benzodioxin-7-one (º8-hydroxyobliquin)](/nmr/static/nmr/svg/20574.svg)
Common Name: 2,3-dihydro-5-hydroxy-2-(1-methylethenyl)-7H-pyrano[2,3-g][1,4]benzodioxin-7-one (º8-hydroxyobliquin)
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C14H12O5/c1-7(2)10-6-17-14-9(18-10)5-8-3-4-11(15)19-13(8)12(14)16/h3-5,10,16H,1,6H2,2H3
InChIKey: InChIKey=LLRZQKWRTGZOCP-UHFFFAOYSA-N
Formula: C14H12O5
Molecular Weight: 260.242616
Exact Mass: 260.068473
NMR Solvent: CD3COCD3
MHz:
Calibration:
NMR references: 13C - Li, J.X., Lin, C.J., Yang, X.P., Jia, Z.J. Chem Biodiversity (2006) 3, 783-90
Species:
Notes: Family : Chromans, Type : Coumarins, Group : Coumarins; 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) | 114 |
| 4 (CH) | 144.3 |
| 5 (CH) | 104.9 |
| 6 (C) | 141.1 |
| 7 (C) | 135.7 |
| 8 (C) | 133.7 |
| 9 (C) | 138.1 |
| 10 (C) | 112.8 |
| 1' (CH2) | 67.3 |
| 2' (CH) | 75.8 |
| 3' (C) | 140.3 |
| 4' (CH2) | 113.9 |
| 5' (CH3) | 18.2 |
