Spektraris NMR
11-Methoxy-9-(1,1-dimethylpropargyloxy)-12H-benzo[a]xanthen-12-one
![11-Methoxy-9-(1,1-dimethylpropargyloxy)-12H-benzo[a]xanthen-12-one](/nmr/static/nmr/svg/14783.svg)
Common Name: 11-Methoxy-9-(1,1-dimethylpropargyloxy)-12H-benzo[a]xanthen-12-one
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C23H18O4/c1-5-23(2,3)27-15-12-18(25-4)21-19(13-15)26-17-11-10-14-8-6-7-9-16(14)20(17)22(21)24/h1,6-13H,2-4H3
InChIKey: InChIKey=MIFQZHMALILZOG-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 |
| 2 (CH) | 129 |
| 3 (CH) | 125.8 |
| 4 (CH) | 128.2 |
| 4a (C) | 131.1 |
| 5 (CH) | 135.6 |
| 6 (CH) | 117.3 |
| 6a (C) | 157.5 |
| 7a (C) | 156.1 |
| 8 (CH) | 98.2 |
| 9 (C) | 160.5 |
| 10 (CH) | 99 |
| 11 (C) | 161.4 |
| 11a (C) | 109.5 |
| 12 (C) | 177.8 |
| 12a (C) | 115.6 |
| 12b (C) | 130.3 |
| 1' (C) | 72.6 |
| 2' (C) | 84.9 |
| 3' (CH) | 75.2 |
| 4' (CH3) | 29.6 |
| 5' (CH3) | 29.6 |
| 1'' (CH3) | 56.4 |
