Spektraris NMR
Nigrolineaxanthone I
Common Name: Nigrolineaxanthone I
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C23H20O6/c1-22(2)7-5-11-15(28-22)10-16-17(18(11)25)19(26)13-9-14(24)21-12(20(13)27-16)6-8-23(3,4)29-21/h5-10,24-25H,1-4H3
InChIKey: InChIKey=KDOCRANJCODQMR-UHFFFAOYSA-N
Formula: C23H20O6
Molecular Weight: 392.40217
Exact Mass: 392.125988
NMR Solvent: CDCl3
MHz:
Calibration:
NMR references: 13C - Rukachaisirikul, V., Ritthiwigrom, T., Pinsa, A., Sawangchote, P., Taylor, W.C. Phytochemistry (2003) 64, 1149-56
Species:
Notes: Family : Aromatics, Type : Xanthones; 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) | 157.6 |
| 2 (C) | 104.5 |
| 3 (C) | 160.1 |
| 4 (CH) | 94.8 |
| 4a (C) | 156.9 |
| 5 (C) | 109.2 |
| 6 (C) | 145.7 |
| 7 (C) | 141.9 |
| 8 (CH) | 108.7 |
| 8a (C) | 114 |
| 9 (C) | 180 |
| 9a (C) | 103.2 |
| 10a (C) | 146.3 |
| 1' (CH) | 115.6 |
| 2' (CH) | 127.4 |
| 3' (C) | 78.1 |
| 4' (CH3) | 28.3 |
| 5' (CH3) | 28.3 |
| 1'' (CH) | 115.4 |
| 2'' (CH) | 129.9 |
| 3'' (C) | 79.3 |
| 4'' (CH3) | 28.2 |
| 5'' (CH3) | 28.2 |
