Spektraris NMR
Robustaquinone B
Common Name: Robustaquinone B
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C17H14O5/c1-8-4-5-9-14(15(8)18)17(20)11-7-13(22-3)12(21-2)6-10(11)16(9)19/h4-7,18H,1-3H3
InChIKey: InChIKey=NKFKBTKBVWFUEN-UHFFFAOYSA-N
Formula: C17H14O5
Molecular Weight: 298.290705
Exact Mass: 298.084124
NMR Solvent: CDCl3
MHz:
Calibration:
NMR references: 13C - Han, Y.S., Heijden, R., Lefeber, A.W., Erkelens, C., Verpoorte, R. Phytochemistry (2002) 59, 45-55
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) | 160.82 |
| 2 (C) | 134.72 |
| 3 (CH) | 136.77 |
| 4 (CH) | 119.13 |
| 4a (C) | 131.39 |
| 5 (CH) | 108.5 |
| 6 (C) | 154.16 |
| 7 (C) | 153.65 |
| 8 (CH) | 107.86 |
| 8a (C) | 127.96 |
| 9 (C) | 188.36 |
| 9a (C) | 115.15 |
| 10 (C) | 181.86 |
| 10a (C) | 128.92 |
| 2a (CH3) | 16.17 |
| 6a (CH3) | 56.53 |
| 7a (CH3) | 56.59 |
