Spektraris NMR
6-Deoxyjacareubin
Common Name: 6-Deoxyjacareubin
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C18H14O5/c1-18(2)7-6-9-12(23-18)8-13-14(15(9)20)16(21)10-4-3-5-11(19)17(10)22-13/h3-8,19-20H,1-2H3
InChIKey: InChIKey=NHNIESSJWQBRJW-UHFFFAOYSA-N
Formula: C18H14O5
Molecular Weight: 310.301441
Exact Mass: 310.084124
NMR Solvent: DMSO-d6
MHz:
Calibration:
NMR references: 13C - Rocha, L., Marston, A., Kaplan, M.A., Stoeckli-Evans, H., Thull, U., Testa, B., Hostettmann, K. Phytochemistry (1994) 36, 1381-5
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) | 160.2 |
| 2 (C) | 103.8 |
| 3 (C) | 156.7 |
| 4 (CH) | 94.7 |
| 4a (C) | 156.4 |
| 5 (C) | 146.2 |
| 6 (CH) | 120.7 |
| 7 (CH) | 124.2 |
| 8 (CH) | 114.3 |
| 8a (C) | 120.8 |
| 9 (C) | 180.5 |
| 9a (C) | 102.9 |
| 10a (C) | 144.8 |
| 1' (CH) | 128.4 |
| 2' (CH) | 114.4 |
| 3' (C) | 78.4 |
| 4' (CH3) | 27.9 |
| 5' (CH3) | 27.9 |
