Spektraris NMR
Nigrolineaxanthone E
Common Name: Nigrolineaxanthone E
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C24H26O6/c1-7-24(4,5)17-21(29-6)13(9-8-12(2)3)18(26)16-19(27)14-10-11-15(25)20(28)22(14)30-23(16)17/h7-8,10-11,25-26,28H,1,9H2,2-6H3
InChIKey: InChIKey=QFBAAHOFCQDCQH-UHFFFAOYSA-N
Formula: C24H26O6
Molecular Weight: 410.460551
Exact Mass: 410.172939
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) | 160 |
| 2 (C) | 118.4 |
| 3 (C) | 164.4 |
| 4 (C) | 118.6 |
| 4a (C) | 152.7 |
| 5 (C) | 130.9 |
| 6 (C) | 149.2 |
| 7 (CH) | 112.9 |
| 8 (CH) | 117.8 |
| 8a (C) | 113.8 |
| 9 (C) | 181.3 |
| 9a (C) | 105.6 |
| 10a (C) | 144.8 |
| 1' (CH2) | 22.9 |
| 2' (CH) | 122.5 |
| 3' (C) | 132.2 |
| 4' (CH3) | 18 |
| 5' (CH3) | 25.7 |
| 1'' (C) | 42 |
| 2'' (CH3) | 28.7 |
| 3'' (CH3) | 28.7 |
| 4'' (CH) | 156.8 |
| 5'' (CH2) | 104.3 |
| 3a (CH3) | 62.7 |
