Spektraris NMR
11-Amino-9-methoxy-12H-benzo[a]xanthen-12-one
![11-Amino-9-methoxy-12H-benzo[a]xanthen-12-one](/nmr/static/nmr/svg/14794.svg)
Common Name: 11-Amino-9-methoxy-12H-benzo[a]xanthen-12-one
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C18H13NO3/c1-21-11-8-13(19)17-15(9-11)22-14-7-6-10-4-2-3-5-12(10)16(14)18(17)20/h2-9H,19H2,1H3
InChIKey: InChIKey=MWJIGIRVDSVQKI-UHFFFAOYSA-N
Formula: C18H13N1O3
Molecular Weight: 291.301434
Exact Mass: 291.089543
NMR Solvent: CD3COCD3
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 |
| 3 (CH) | 125.6 |
| 4 (CH) | 128.4 |
| 4a (C) | 130.2 |
| 5 (CH) | 135.7 |
| 6 (CH) | 117.6 |
| 6a (C) | 158.1 |
| 7a (C) | 156.6 |
| 8 (CH) | 89.5 |
| 9 (C) | 164.6 |
| 10 (CH) | 95.1 |
| 11 (C) | 152.3 |
| 11a (C) | 104.7 |
| 12 (C) | 181.1 |
| 12a (C) | 114.4 |
| 12b (C) | 131.2 |
| 9a (CH3) | 55.4 |
