Spektraris NMR
Paeciloquinone A
Common Name: Paeciloquinone A
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C18H12O8/c19-6-3-8-13(10(20)4-6)17(24)14-9(15(8)22)5-11(21)12(16(14)23)7-1-2-26-18(7)25/h3-5,7,19-21,23H,1-2H2
InChIKey: InChIKey=CCJBPPLPVJLTRD-UHFFFAOYSA-N
Formula: C18H12O8
Molecular Weight: 356.283775
Exact Mass: 356.053217
NMR Solvent: DMSO-d6
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) | 161.7 |
| 2 (C) | 117.7 |
| 3 (C) | 162.7 |
| 4 (CH) | 108 |
| 4a (C) | 133.1 |
| 5 (CH) | 108.7 |
| 6 (C) | 165.1 |
| 7 (CH) | 107.8 |
| 8 (C) | 164.2 |
| 8a (C) | 108.7 |
| 9 (C) | 188.7 |
| 9a (C) | 108.3 |
| 10 (C) | 181.2 |
| 10a (C) | 134.9 |
| 1' (CH) | 34.6 |
| 2' (CH2) | 27.1 |
| 3' (CH2) | 66.7 |
| 4' (C) | 176.7 |
