Spektraris NMR
Paeciloquinone F
Common Name: Paeciloquinone F
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C20H14O9/c1-19-2-3-20(29-19,18(26)27)14-11(28-19)6-9-13(17(14)25)16(24)12-8(15(9)23)4-7(21)5-10(12)22/h4-6,21-22,25H,2-3H2,1H3,(H,26,27)/t19-,20+/m0/s1
InChIKey: InChIKey=VFXZFYHLJCNYMX-VQTJNVASSA-N
Formula: C20H14O9
Molecular Weight: 398.320533
Exact Mass: 398.063782
NMR Solvent: CD3OD
MHz:
Calibration:
NMR references: 13C - Fredenhagen, A., Hug, P., Sauter, H., Peter, H.H. J Antibiot (1995) 48, 199-204
Species:
Notes: Family : Aromatics, Type : Anthraquinones, Group : Anthraquinones; 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 (C) | 120.5 |
| 3 (C) | 160.1 |
| 4 (CH) | 109.7 |
| 4a (C) | 136.6 |
| 5 (CH) | 110.2 |
| 6 (C) | 166.9 |
| 7 (CH) | 109.2 |
| 8 (C) | 166.4 |
| 8a (C) | 110.4 |
| 9 (C) | 191 |
| 9a (C) | 120.5 |
| 10 (C) | 182.4 |
| 10a (C) | 135.6 |
| 1' (C) | 85.8 |
| 2' (CH2) | 38.8 |
| 3' (CH2) | 38.4 |
| 4' (C) | 110.6 |
| 1'a (C) | 168.1 |
| 4'a (CH3) | 23.6 |
