Spektraris NMR
Episesamin
Common Name: Episesamin
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C20H18O6/c1-3-15-17(25-9-23-15)5-11(1)19-13-7-22-20(14(13)8-21-19)12-2-4-16-18(6-12)26-10-24-16/h1-6,13-14,19-20H,7-10H2/t13-,14-,19-,20?/m0/s1
InChIKey: InChIKey=PEYUIKBAABKQKQ-NRFVGKODSA-N
Formula: C20H18O6
Molecular Weight: 354.354081
Exact Mass: 354.110338
NMR Solvent: CDCl3
MHz:
Calibration:
NMR references: 13C - Venkataraman R., Gopalakrishnan S. Phytochemistry (2002) 61, 963-6
Species:
Notes: Family : Lignans, Type : Lignans, Group : Bisepoxylignans; 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) | 135.6 |
| 2 (CH) | 106.6 |
| 3 (C) | 146.8 |
| 4 (C) | 147.9 |
| 5 (CH) | 108.2 |
| 6 (CH) | 118.8 |
| 7 (CH) | 87.7 |
| 8 (CH) | 54.7 |
| 9 (CH2) | 71.04 |
| 1' (C) | 132.6 |
| 2' (CH) | 106.7 |
| 3' (C) | 147.4 |
| 4' (C) | 148.2 |
| 5' (CH) | 108.2 |
| 6' (CH) | 119.6 |
| 7' (CH) | 82.1 |
| 8' (CH) | 50.2 |
| 9' (CH2) | 69.7 |
| 3a (CH2) | 101.14 |
| 3'a (CH2) | 101.14 |
