Spektraris NMR
Nigrolineaxanthone P
Common Name: Nigrolineaxanthone P
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C25H32O7/c1-6-31-25(4,5)12-10-15-17(27)13-18-20(21(15)28)22(29)19-14(9-11-24(2,3)30)7-8-16(26)23(19)32-18/h7-8,13,26-28,30H,6,9-12H2,1-5H3
InChIKey: InChIKey=CQWFDJXIXDPPCM-UHFFFAOYSA-N
Formula: C25H32O7
Molecular Weight: 444.518336
Exact Mass: 444.214803
NMR Solvent: CDCl3
MHz:
Calibration:
NMR references: 13C - Rukachaisirikul, V., Kamkaew, M., Sukavisit, D., Phongpaichit, S., Sawangchote, P., Taylor, W.C. J Nat Prod (2003) 66, 1531-5
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) | 160.5 |
| 2 (C) | 112.1 |
| 3 (C) | 163.3 |
| 4 (CH) | 94 |
| 4a (C) | 154.5 |
| 5 (C) | 142.7 |
| 6 (CH) | 119.3 |
| 7 (CH) | 125.7 |
| 8 (C) | 136.6 |
| 8a (C) | 118.3 |
| 9 (C) | 182.6 |
| 9a (C) | 103.5 |
| 10a (C) | 145.4 |
| 1' (CH2) | 15.3 |
| 2' (CH2) | 41.5 |
| 3' (C) | 76.3 |
| 4' (CH3) | 24.5 |
| 5' (CH3) | 24.5 |
| 1'' (CH2) | 29.7 |
| 2'' (CH2) | 45.9 |
| 3'' (C) | 70.8 |
| 4'' (CH3) | 29.3 |
| 5'' (CH3) | 29.3 |
| 3'a (CH2) | 57.5 |
| 3'b (CH3) | 15.5 |
