Spektraris NMR
Methylcelebixanthone
Common Name: Methylcelebixanthone
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C20H20O6/c1-10(2)8-9-11-14-16(22)15-12(21)6-5-7-13(15)26-19(14)20(25-4)17(23)18(11)24-3/h5-8,21,23H,9H2,1-4H3
InChIKey: InChIKey=AIBPYVNEBSHOCZ-UHFFFAOYSA-N
Formula: C20H20O6
Molecular Weight: 356.369963
Exact Mass: 356.125988
NMR Solvent: CDCl3
MHz:
Calibration:
NMR references: 13C - Laphookhieo, S., Syers, J.K., Kiattansakul, R., Chantrapromma, K. Chem Pharm Bull (2006) 54, 745-7
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) | 162.2 |
| 2 (CH) | 110.6 |
| 3 (CH) | 136.1 |
| 4 (CH) | 106.2 |
| 4a (C) | 155.2 |
| 5 (C) | 145.4 |
| 6 (C) | 143.3 |
| 7 (C) | 147.3 |
| 8 (C) | 128.4 |
| 8a (C) | 114.5 |
| 9 (C) | 183.6 |
| 9a (C) | 109.2 |
| 10a (C) | 135.9 |
| 1' (CH2) | 25.4 |
| 2' (CH) | 123.5 |
| 3' (C) | 131.7 |
| 4' (CH3) | 18.2 |
| 5' (CH3) | 25.9 |
| 5a (CH3) | 61.1 |
| 7a (CH3) | 61.1 |
