Spektraris NMR
Paeciloquinone D
Common Name: Paeciloquinone D
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C18H14O9/c19-2-1-7(18(26)27)12-11(22)5-9-14(16(12)24)17(25)13-8(15(9)23)3-6(20)4-10(13)21/h3-5,7,19-22,24H,1-2H2,(H,26,27)
InChIKey: InChIKey=NSSMDOWGNWOYJY-UHFFFAOYSA-N
Formula: C18H14O9
Molecular Weight: 374.299061
Exact Mass: 374.063782
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) | 162.5 |
| 2 (C) | 118.8 |
| 3 (C) | 171 |
| 4 (CH) | 113.2 |
| 4a (C) | 132.5 |
| 5 (CH) | 108 |
| 6 (C) | 163.8 |
| 7 (CH) | 108 |
| 8 (C) | 164.3 |
| 8a (C) | 109 |
| 9 (C) | 186.9 |
| 9a (C) | 108.3 |
| 10 (C) | 182 |
| 10a (C) | 135 |
| 1' (CH) | 40.9 |
| 2' (CH2) | 33.9 |
| 3' (CH2) | 59.6 |
| 6' (C) | 175.6 |
