Spektraris NMR
Combretastatin B-4
Common Name: Combretastatin B-4
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C16H18O4/c1-19-13-7-12(8-14(10-13)20-2)4-3-11-5-6-15(17)16(18)9-11/h5-10,17-18H,3-4H2,1-2H3
InChIKey: InChIKey=PBRZRNRAYCSTKB-UHFFFAOYSA-N
Formula: C16H18O4
Molecular Weight: 274.312328
Exact Mass: 274.120509
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) | 144.24 |
| 2 (CH) | 106.73 |
| 3 (C) | 160.77 |
| 4 (CH) | 98.1 |
| 5 (C) | 160.77 |
| 6 (CH) | 106.73 |
| α (CH2) | 38.26 |
| β (CH2) | 36.89 |
| 1' (C) | 135.02 |
| 2' (CH) | 115.41 |
| 3' (C) | 141.65 |
| 4' (C) | 143.48 |
| 5' (CH) | 115.71 |
| 6' (CH) | 120.91 |
| 3a (CH3) | 55.31 |
| 5a (CH3) | 55.31 |
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The Spektraris NMR database is developed and hosted by the Lange laboratory at WSU. CAS Registry Number is a Registered Trademark of the American Chemical Society.