Spektraris NMR
Sesamin-2-ol
Common Name: Sesamin-2-ol
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C20H18O7/c21-17-11(2-4-15-20(17)27-9-25-15)19-13-7-22-18(12(13)6-23-19)10-1-3-14-16(5-10)26-8-24-14/h1-5,12-13,18-19,21H,6-9H2/t12-,13-,18+,19+/m0/s1
InChIKey: InChIKey=DWROQTQLRCCFNU-MBZVMHRFSA-N
Formula: C20H18O7
Molecular Weight: 370.353486
Exact Mass: 370.105253
NMR Solvent: CDCl3
MHz:
Calibration:
NMR references: 13C - Shao, Y., Hu, L.H., Sim, K.Y., Goh, S.H. Helv Chim Acta (2006) 89, 64-72
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) | 119.76 |
| 2 (C) | 139.8 |
| 3 (C) | 135.12 |
| 4 (C) | 148.89 |
| 5 (CH) | 100.63 |
| 6 (CH) | 119.43 |
| 7 (CH) | 86.45 |
| 8 (CH) | 52.96 |
| 9 (CH2) | 70.67 |
| 1' (C) | 134.59 |
| 2' (CH) | 106.51 |
| 3' (C) | 147.21 |
| 4' (C) | 148.15 |
| 5' (CH) | 108.24 |
| 6' (CH) | 119.33 |
| 7' (CH) | 85.39 |
| 8' (CH) | 53.43 |
| 9' (CH2) | 72.37 |
| 3a (CH2) | 101.62 |
| 3'a (CH2) | 101.12 |
