Spektraris NMR
2-Epilaserine
Common Name: 2-Epilaserine
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C21H26O7/c1-7-12(3)20(22)27-14(5)18(28-21(23)13(4)8-2)15-9-16(24-6)19-17(10-15)25-11-26-19/h7-10,14,18H,11H2,1-6H3/b12-7-,13-8-/t14-,18-/m1/s1
InChIKey: InChIKey=YIFLQBNCXIFWEL-XLULLIBISA-N
Formula: C21H26O7
Molecular Weight: 390.427748
Exact Mass: 390.167853
NMR Solvent: C5D5N
MHz:
Calibration:
NMR references: 13C - Schmiech, L., Uemura, D., Hofmann, T. J Agric Food Chem (2008) 56, 10252-60
Species:
Notes: Family : Aromatics, Type : Phenyl-alkanoids, Group : Phenylpropanoids; 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) | 131.9 |
| 2 (CH) | 107.7 |
| 3 (C) | 143.8 |
| 4 (C) | 149.4 |
| 5 (C) | 135.4 |
| 6 (CH) | 101.1 |
| 7 (CH) | 75.7 |
| 8 (CH) | 71.7 |
| 9 (CH3) | 14.8 |
| 3a (CH3) | 56.3 |
| 4a (CH2) | 101.6 |
| 7a (C) | 166.1 |
| 7b (C) | 127.6 |
| 7c (CH) | 139.2 |
| 7d (CH3) | 15.6 |
| 7ba (CH3) | 20.3 |
| 8a (C) | 166.8 |
| 8b (C) | 127.6 |
| 8c (CH) | 138.2 |
| 8d (CH3) | 15.6 |
| 8ba (CH3) | 20.3 |
