Spektraris NMR
Nigrolineaxanthone O
Common Name: Nigrolineaxanthone O
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C24H28O6/c1-13(2)6-8-15-17(26)12-18-20(21(15)27)22(28)19-14(10-11-24(3,4)29-5)7-9-16(25)23(19)30-18/h6-7,9,12,25-27H,8,10-11H2,1-5H3
InChIKey: InChIKey=CLDJJUOXMZUESE-UHFFFAOYSA-N
Formula: C24H28O6
Molecular Weight: 412.476432
Exact Mass: 412.188589
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) | 161 |
| 2 (C) | 109.1 |
| 3 (C) | 162.2 |
| 4 (CH) | 93.4 |
| 4a (C) | 154.3 |
| 5 (C) | 142.5 |
| 6 (CH) | 119.5 |
| 7 (CH) | 126 |
| 8 (C) | 137.1 |
| 8a (C) | 118.5 |
| 9 (C) | 182.7 |
| 9a (C) | 104 |
| 10a (C) | 145.2 |
| 1' (CH2) | 21.4 |
| 2' (CH) | 121.2 |
| 3' (C) | 136 |
| 4' (CH3) | 17.9 |
| 5' (CH3) | 25.9 |
| 1'' (CH2) | 29.8 |
| 2'' (CH2) | 41.4 |
| 3'' (C) | 74.9 |
| 4'' (CH3) | 29.1 |
| 5'' (CH3) | 25.1 |
| 3''a (CH3) | 49.2 |
