Spektraris NMR
5-Methoxysesamin
Common Name: 5-Methoxysesamin
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C21H20O7/c1-22-17-5-12(6-18-21(17)28-10-27-18)20-14-8-23-19(13(14)7-24-20)11-2-3-15-16(4-11)26-9-25-15/h2-6,13-14,19-20H,7-10H2,1H3/t13-,14-,19+,20+/m1/s1
InChIKey: InChIKey=FHVJDYZMZCJFRZ-NSMLZSOPSA-N
Formula: C21H20O7
Molecular Weight: 384.380103
Exact Mass: 384.120903
NMR Solvent: CDCl3
MHz:
Calibration:
NMR references: 13C - Segal, R., Eden, L., Danin, A., Kaiser, M., Duddeck, H. Phytochemistry (1984) 23, 2954-6
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 |
| 2 (CH) | 105.4 |
| 3 (C) | 134.7 |
| 4 (C) | 143.7 |
| 5 (C) | 149.1 |
| 6 (CH) | 100.1 |
| 7 (CH) | 85.9 |
| 8 (CH) | 54.4 |
| 9 (CH2) | 71.8 |
| 1' (C) | 135.8 |
| 2' (CH) | 106.5 |
| 3' (C) | 147.2 |
| 4' (C) | 148 |
| 5' (CH) | 108.2 |
| 6' (CH) | 119.4 |
| 7' (CH) | 85.8 |
| 8' (CH) | 54.3 |
| 9' (CH2) | 71.8 |
| 3a (CH2) | 101.6 |
| 5a (CH3) | 56.7 |
| 3'a (CH2) | 101.1 |
