Spektraris NMR
IsocudraniaxanthoneB
Common Name: IsocudraniaxanthoneB
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C19H18O6/c1-5-19(2,3)14-12(24-4)8-11(21)13-15(22)9-6-7-10(20)16(23)17(9)25-18(13)14/h5-8,20-21,23H,1H2,2-4H3
InChIKey: InChIKey=PELOBHLTYBBGDO-UHFFFAOYSA-N
Formula: C19H18O6
Molecular Weight: 342.343345
Exact Mass: 342.110338
NMR Solvent: CD3COCD3
MHz:
Calibration:
NMR references: 13C - Kobayashi, M., Mahmud, T., Yoshioka, N., Shibuya, H., Kitagawa, I. Chem Pharm Bull (1997) 45, 1615-9
Species:
Notes: Family : Aromatics, Type : Xanthones; 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 (C) | 163.4 |
| 2 (CH) | 96.3 |
| 3 (C) | 166.3 |
| 4 (C) | 114.4 |
| 4a (C) | 155.9 |
| 5 (C) | 133.6 |
| 6 (C) | 151.8 |
| 7 (CH) | 113.6 |
| 8 (CH) | 117.2 |
| 8a (C) | 114.4 |
| 9 (C) | 181.9 |
| 9a (C) | 103.7 |
| 10a (C) | 147 |
| 1' (C) | 42 |
| 2' (CH3) | 29.8 |
| 3' (CH3) | 29.8 |
| 4' (CH) | 153 |
| 5' (CH2) | 106.8 |
| 3a (CH3) | 56.2 |
