Spektraris NMR
Combretastatin A-5
Common Name: Combretastatin A-5
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C18H20O5/c1-20-15-8-7-12(10-16(15)21-2)5-6-13-9-14(19)18(23-4)17(11-13)22-3/h5-11,19H,1-4H3/b6-5-
InChIKey: InChIKey=IMUMNNFSYPVDEW-WAYWQWQTSA-N
Formula: C18H20O5
Molecular Weight: 316.349086
Exact Mass: 316.131074
NMR Solvent: CDCl3
MHz:
Calibration:
NMR references: 13C - Pettit, G.R.ingh.B., Boyd, M.R., Hamel, E., Pettit, R.K.chmidt, J.M., Hogan, F. J Med Chem (1995) 38, 1666-72
Species:
Notes: Family : Aromatics, Type : Stilbenes, Group : Stilbenes; 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) | 133.8 |
| 2 (CH) | 108.72 |
| 3 (C) | 149.09 |
| 4 (C) | 134.6 |
| 5 (C) | 151.96 |
| 6 (CH) | 104.86 |
| α (CH) | 129.77 |
| β (CH) | 128.6 |
| 1' (C) | 133.8 |
| 2' (CH) | 111.88 |
| 3' (C) | 148.36 |
| 4' (C) | 148.25 |
| 5' (CH) | 110.84 |
| 6' (CH) | 121.97 |
| 4a (CH3) | 60.97 |
| 5a (CH3) | 55.83 |
| 3'a (CH3) | 55.71 |
| 4'a (CH3) | 55.58 |
