Spektraris NMR
5-Hydroxy-2,2-dimethyl-2H,6H-benzo[a]pyrano[2,3-i]xanthen-6-one
![5-Hydroxy-2,2-dimethyl-2H,6H-benzo[a]pyrano[2,3-i]xanthen-6-one](/nmr/static/nmr/svg/14785.svg)
Common Name: 5-Hydroxy-2,2-dimethyl-2H,6H-benzo[a]pyrano[2,3-i]xanthen-6-one
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C22H16O4/c1-22(2)10-9-14-16(26-22)11-17-19(20(14)23)21(24)18-13-6-4-3-5-12(13)7-8-15(18)25-17/h3-11,23H,1-2H3
InChIKey: InChIKey=BOFUPNZOYHHQKC-UHFFFAOYSA-N
Formula: C22H16O4
Molecular Weight: 344.360862
Exact Mass: 344.104859
NMR Solvent: CDCl3
MHz:
Calibration:
NMR references: 13C - Sittisombut, C., Boutefnouchet, S., Trinh Van-Dufat, H., Tian, W., Michel, S., Koch, M., Tillequin, F., Pfeiffer, B., Pierre, A. Chem Pharm Bull (2006) 54, 1113-8
Species:
Notes: Family : Aromatics, Type : Xanthones, Group : Benzoxanthones; 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 |
|---|---|
| 1 (CH) | 126.8 |
| 2 (CH) | 129.5 |
| 3 (CH) | 126.2 |
| 4 (CH) | 128.5 |
| 4a (C) | 130.2 |
| 5 (CH) | 136.8 |
| 6 (CH) | 117.4 |
| 6a (C) | 160 |
| 7a (C) | 157.3 |
| 8 (CH) | 99.7 |
| 9 (C) | 163.1 |
| 10 (C) | 100.5 |
| 11 (C) | 160 |
| 11a (C) | 105.2 |
| 12 (C) | 183 |
| 12a (C) | 113.3 |
| 12b (C) | 130.8 |
| 1' (CH) | 114.9 |
| 2' (CH) | 127.1 |
| 3' (C) | 78.1 |
| 4' (CH3) | 28.3 |
| 5' (CH3) | 28.3 |
