Spektraris NMR
Combretastatin C-1-leucotriacetate
Common Name: Combretastatin C-1-leucotriacetate
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C23H22O9/c1-11(24)30-18-9-14-7-8-15-19(16(14)10-17(18)27-4)21(32-13(3)26)23(29-6)22(28-5)20(15)31-12(2)25/h7-10H,1-6H3
InChIKey: InChIKey=AAZZAPRUACIEPD-UHFFFAOYSA-N
Formula: C23H22O9
Molecular Weight: 442.416267
Exact Mass: 442.126382
NMR Solvent: C+B
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) | 117.62 |
| 2 (C) | 140.01 |
| 3 (C) | 150.44 |
| 4 (CH) | 108.5 |
| 4a (C) | 127.73 |
| 4b (C) | 119.83 |
| 5 (C) | 137.57 |
| 6 (C) | 143.98 |
| 7 (C) | 144.68 |
| 8 (C) | 139.95 |
| 8a (C) | 123.55 |
| 9 (CH) | 127.05 |
| 10 (CH) | 121.62 |
| 10a (C) | 127.62 |
| 2a (C) | 168.8 |
| 2b (CH3) | 20.97 |
| 3a (CH3) | 55.99 |
| 5a (C) | 168.64 |
| 5b (CH3) | 20.61 |
| 6a (CH3) | 61.97 |
| 7a (CH3) | 61.13 |
| 8b (C) | 168.1 |
| 8c (CH3) | 20.44 |
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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.