Spektraris NMR
Combretastatin C-1
Common Name: Combretastatin C-1
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C17H14O6/c1-21-12-7-10-8(6-11(12)18)4-5-9-13(10)15(20)17(23-3)16(22-2)14(9)19/h4-7,18H,1-3H3
InChIKey: InChIKey=XEQHKMJEEORQPF-UHFFFAOYSA-N
Formula: C17H14O6
Molecular Weight: 314.29011
Exact Mass: 314.079038
NMR Solvent: CDCl3
MHz:
Calibration:
NMR references: 13C - Singh.B., Pettit, G.R. J Org Chem (1989) 54, 4105-14
Species:
Notes: Family : Aromatics, Type : Phenanthrenes; 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 (CH) | 109.95 |
| 2 (C) | 147.76 |
| 3 (C) | 150.92 |
| 4 (CH) | 105.86 |
| 4a (C) | 126.02 |
| 4b (C) | 124.46 |
| 5 (C) | 182.91 |
| 6 (C) | 144.96 |
| 7 (C) | 144.96 |
| 8 (C) | 185.2 |
| 8a (C) | 129.67 |
| 9 (CH) | 132.98 |
| 10 (CH) | 120.83 |
| 10a (C) | 134.4 |
| 3a (CH3) | 56.25 |
| 6a (CH3) | 61.44 |
| 7a (CH3) | 61.39 |
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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.