Spektraris NMR
5-Methoxy-2,2-dimethyl-2H,6H-benzo[a]pyrano[2,3-i]xanthen-6-one
![5-Methoxy-2,2-dimethyl-2H,6H-benzo[a]pyrano[2,3-i]xanthen-6-one](/nmr/static/nmr/svg/14787.svg)
Common Name: 5-Methoxy-2,2-dimethyl-2H,6H-benzo[a]pyrano[2,3-i]xanthen-6-one
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C23H18O4/c1-23(2)11-10-15-17(27-23)12-18-20(22(15)25-3)21(24)19-14-7-5-4-6-13(14)8-9-16(19)26-18/h4-12H,1-3H3
InChIKey: InChIKey=WFIZROCDLPPXKL-UHFFFAOYSA-N
Formula: C23H18O4
Molecular Weight: 358.387479
Exact Mass: 358.120509
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) | 127 |
| 2 (CH) | 129.3 |
| 3 (CH) | 125.9 |
| 4 (CH) | 128.5 |
| 4a (C) | 130.4 |
| 5 (CH) | 135.8 |
| 6 (CH) | 117.6 |
| 6a (C) | 156.3 |
| 7a (C) | 157.2 |
| 8 (CH) | 100.3 |
| 9 (C) | 156.3 |
| 10 (C) | 112.4 |
| 11 (C) | 158.5 |
| 11a (C) | 112.8 |
| 12 (C) | 177.4 |
| 12a (C) | 115.4 |
| 12b (C) | 131.2 |
| 1' (CH) | 115.4 |
| 2' (CH) | 130.4 |
| 3' (C) | 77.9 |
| 4' (CH3) | 28.5 |
| 5' (CH3) | 28.5 |
| 1'' (CH3) | 62.9 |
