Spektraris NMR
Combretastatin D-1
Common Name: Combretastatin D-1
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C18H16O5/c19-14-7-1-11-2-8-17(20)21-10-16-18(23-16)12-3-5-13(6-4-12)22-15(14)9-11/h1,3-7,9,16,18-19H,2,8,10H2/t16-,18+/m1/s1
InChIKey: InChIKey=COGWIGJGNQCZPK-AEFFLSMTSA-N
Formula: C18H16O5
Molecular Weight: 312.317323
Exact Mass: 312.099774
NMR Solvent: CDCl3
MHz:
Calibration:
NMR references: 13C - Singh.B., Pettit, G.R. J Org Chem (1990) 55, 2797-800
Species:
Notes: Family : Aromatics, Type : Biphenyl-ethers, Group : Macrolactone-Diphenyl-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) | 62.56 |
| 3 (CH) | 52.99 |
| 4 (CH) | 55.84 |
| 5 (C) | 132.44 |
| 6 (CH) | 128.83 |
| 7 (CH) | 123.95 |
| 8 (C) | 156.01 |
| 10 (C) | 149.09 |
| 11 (C) | 142.62 |
| 12 (CH) | 115.38 |
| 13 (CH) | 122.03 |
| 14 (C) | 131.9 |
| 15 (CH2) | 26.97 |
| 16 (CH2) | 31.24 |
| 17 (C) | 172.53 |
| 18 (CH) | 126.34 |
| 19 (CH) | 123.14 |
| 20 (CH) | 112.24 |
