Spektraris NMR
Combretastatin A-4
Common Name: Combretastatin A-4
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C18H20O5/c1-20-15-8-7-12(9-14(15)19)5-6-13-10-16(21-2)18(23-4)17(11-13)22-3/h5-11,19H,1-4H3/b6-5-
InChIKey: InChIKey=HVXBOLULGPECHP-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) | 132.67 |
| 2 (CH) | 106.07 |
| 3 (C) | 152.82 |
| 4 (C) | 137.14 |
| 5 (C) | 152.82 |
| 6 (CH) | 106.07 |
| α (CH) | 129.45 |
| β (CH) | 128.98 |
| 1' (C) | 130.58 |
| 2' (CH) | 115.02 |
| 3' (C) | 145.77 |
| 4' (C) | 145.22 |
| 5' (CH) | 110.32 |
| 6' (CH) | 121.06 |
| 3a (CH3) | 55.89 |
| 4a (CH3) | 60.85 |
| 5a (CH3) | 55.89 |
| 4'a (CH3) | 55.89 |
