Spektraris NMR
Combretastatins D-4
Common Name: Combretastatins D-4
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C18H18O4/c19-16-9-5-14-6-10-18(20)21-11-1-2-13-3-7-15(8-4-13)22-17(16)12-14/h3-5,7-9,12,19H,1-2,6,10-11H2
InChIKey: InChIKey=GTGFVTOGSQUFFF-UHFFFAOYSA-N
Formula: C18H18O4
Molecular Weight: 298.333799
Exact Mass: 298.120509
NMR Solvent: CDCl3
MHz:
Calibration:
NMR references: 13C - Vongvanich, N., Kittakoop, P., Charoenchai, P., Intamas.anwisetkanjana, K., Thebtaranonth, Y. Planta Med (2005) 71, 191-3
Species:
Notes: Family : Aromatics, Type : Biphenyl-ethers, Group : Macrolactone-biphenyl-ethers; 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 |
|---|---|
| 2 (CH2) | 63.9 |
| 3 (CH2) | 28.7 |
| 4 (CH2) | 34 |
| 5 (C) | 137.9 |
| 6 (CH) | 131.1 |
| 7 (CH) | 123.5 |
| 8 (C) | 154.2 |
| 10 (C) | 149.1 |
| 11 (C) | 142.5 |
| 12 (CH) | 115 |
| 13 (CH) | 121.5 |
| 14 (C) | 132.7 |
| 15 (CH2) | 27 |
| 16 (CH2) | 32.7 |
| 17 (C) | 173.8 |
| 18 (CH) | 131.1 |
| 19 (CH) | 123.5 |
| 20 (CH) | 112.6 |
