Spektraris NMR
Laurenquinone B
Common Name: Laurenquinone B
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C22H18O7/c1-9-7-11-16(19(25)14(9)21(27)28-4)20(26)15-12(17(11)23)8-13-10(18(15)24)5-6-22(2,3)29-13/h5-8,24-25H,1-4H3
InChIKey: InChIKey=YELMGJGNPKYOJB-UHFFFAOYSA-N
Formula: C22H18O7
Molecular Weight: 394.374958
Exact Mass: 394.105253
NMR Solvent: C+M
MHz:
Calibration:
NMR references: 13C - Wabo, H.K., Kouam, S.F., Krohn, K., Hussain, H., Tala, M.F., Tane, P., Ree, T., Hu, Q., Schulz, B. Chem Pharm Bull (2007) 55, 1640-2
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) | 159.6 |
| 2 (C) | 114.5 |
| 3 (C) | 160.3 |
| 4 (CH) | 110.3 |
| 4a (C) | 133.7 |
| 5 (CH) | 121.2 |
| 6 (C) | 145.3 |
| 7 (C) | 128.8 |
| 8 (C) | 159.4 |
| 8a (C) | 114.1 |
| 9 (C) | 190.5 |
| 9a (C) | 110 |
| 10 (C) | 180 |
| 10a (C) | 133.4 |
| 2a (CH) | 115.1 |
| 2b (CH) | 131.1 |
| 2c (C) | 78.6 |
| 2d (CH3) | 28.4 |
| 2e (CH3) | 28.4 |
| 6a (CH3) | 20.3 |
| 7a (C) | 166.6 |
| 7b (CH3) | 52.6 |
