Spektraris NMR
2-Epilaserinoxide
Common Name: 2-Epilaserinoxide
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C21H26O8/c1-7-11(2)19(22)28-17(12(3)27-20(23)21(5)13(4)29-21)14-8-15(24-6)18-16(9-14)25-10-26-18/h7-9,12-13,17H,10H2,1-6H3/b11-7-/t12-,13?,17-,21?/m1/s1
InChIKey: InChIKey=AVJNVKMXZXWBFC-QIZPWZGPSA-N
Formula: C21H26O8
Molecular Weight: 406.427153
Exact Mass: 406.162768
NMR Solvent: CDCl3
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 |
| 2 (CH) | 107.1 |
| 3 (C) | 149.1 |
| 4 (C) | 135.8 |
| 5 (C) | 143.6 |
| 6 (CH) | 101.3 |
| 7 (CH) | 76 |
| 8 (CH) | 72.7 |
| 9 (CH3) | 15.5 |
| 3a (CH3) | 56.6 |
| 4a (CH2) | 101.6 |
| 7a (C) | 166 |
| 7b (C) | 127.6 |
| 7c (CH) | 139.7 |
| 7d (CH3) | 15.5 |
| 7ba (CH3) | 20.5 |
| 8a (C) | 169 |
| 8b (C) | 59.8 |
| 8c (CH) | 59.8 |
| 8d (CH3) | 13.4 |
| 8ba (CH3) | 19 |
