Spektraris NMR
Combretastatin B-3
Common Name: Combretastatin B-3
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C17H20O5/c1-20-15-9-12(10-16(21-2)17(15)22-3)5-4-11-6-7-13(18)14(19)8-11/h6-10,18-19H,4-5H2,1-3H3
InChIKey: InChIKey=SFWXNQDSPCKFAW-UHFFFAOYSA-N
Formula: C17H20O5
Molecular Weight: 304.33835
Exact Mass: 304.131074
NMR Solvent: CDCl3
MHz:
Calibration:
NMR references: 13C - Pettit, G.R.ingh.B.chmidt, J.M., Niven, M.L., Hamel, E., Lin, C.M. J Nat Prod (1988) 51, 517-27
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) | 137.62 |
| 2 (CH) | 105.63 |
| 3 (C) | 153.08 |
| 4 (C) | 134.86 |
| 5 (C) | 153.08 |
| 6 (CH) | 105.63 |
| α (CH2) | 38.42 |
| β (CH2) | 37.23 |
| 1' (C) | 134.86 |
| 2' (CH) | 115.32 |
| 3' (C) | 141.7 |
| 4' (C) | 143.53 |
| 5' (CH) | 115.7 |
| 6' (CH) | 120.92 |
| 3a (CH3) | 56.15 |
| 4a (CH3) | 60.94 |
| 5a (CH3) | 54.1 |
