Spektraris NMR
Sesamin-2
Common Name: Sesamin-2
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C20H18O8/c21-15-9(1-3-13-19(15)27-7-25-13)17-11-5-24-18(12(11)6-23-17)10-2-4-14-20(16(10)22)28-8-26-14/h1-4,11-12,17-18,21-22H,5-8H2/t11-,12-,17+,18+/m0/s1
InChIKey: InChIKey=CNUBEERPZWNIEK-YDOWWZDFSA-N
Formula: C20H18O8
Molecular Weight: 386.352891
Exact Mass: 386.100168
NMR Solvent: CD3COCD3
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) | 124.56 |
| 2 (C) | 139.43 |
| 3 (C) | 135.68 |
| 4 (C) | 149.01 |
| 5 (CH) | 100.87 |
| 6 (CH) | 119.67 |
| 7 (CH) | 83.85 |
| 8 (CH) | 54.61 |
| 9 (CH2) | 72.83 |
| 1' (C) | 124.56 |
| 2' (C) | 139.43 |
| 3' (C) | 135.68 |
| 4' (C) | 149.01 |
| 5' (CH) | 100.87 |
| 6' (CH) | 119.67 |
| 7' (CH) | 83.85 |
| 8' (CH) | 54.61 |
| 9' (CH2) | 72.83 |
| 3a (CH2) | 102.06 |
| 3'a (CH2) | 102.06 |
