Spektraris NMR
Combretastatin B-1
Common Name: Combretastatin B-1
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C18H22O6/c1-21-13-8-7-12(16(19)17(13)20)6-5-11-9-14(22-2)18(24-4)15(10-11)23-3/h7-10,19-20H,5-6H2,1-4H3
InChIKey: InChIKey=ZSNYQENLWQYSRK-UHFFFAOYSA-N
Formula: C18H22O6
Molecular Weight: 334.364372
Exact Mass: 334.141638
NMR Solvent: CDCl3
MHz:
Calibration:
NMR references: 13C - Pettit, G.R.ingh.B., Niven, M.L., Hamel, E.chmidt, J.M. J Nat Prod (1987) 50, 119-31
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) | 138.18 |
| 2 (CH) | 105.67 |
| 3 (C) | 153.05 |
| 4 (C) | 132.35 |
| 5 (C) | 153.05 |
| 6 (CH) | 105.67 |
| α (CH2) | 36.49 |
| β (CH2) | 31.82 |
| 1' (C) | 121.55 |
| 2' (C) | 142.19 |
| 3' (C) | 136.21 |
| 4' (C) | 145.4 |
| 5' (CH) | 102.52 |
| 6' (CH) | 120.32 |
| 3a (CH3) | 56.12 |
| 4a (CH3) | 60.18 |
| 5a (CH3) | 56.12 |
| 4'a (CH3) | 56.18 |
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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.