Spektraris NMR
Sieversol
Common Name: Sieversol
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C22H26O8/c1-25-18-7-13(8-19(26-2)22(18)27-3)21-14(9-23)15(10-28-21)20(24)12-4-5-16-17(6-12)30-11-29-16/h4-8,14-15,20-21,23-24H,9-11H2,1-3H3/t14-,15-,20?,21+/m1/s1
InChIKey: InChIKey=AYCWAZBZIGHZRC-JHHPBUAESA-N
Formula: C22H26O8
Molecular Weight: 418.437889
Exact Mass: 418.162768
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 : 7-9-Monoepoxylignans; 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) | 106.5 |
| 3 (C) | 147.2 |
| 4 (C) | 148 |
| 5 (CH) | 108.2 |
| 6 (CH) | 119.6 |
| 7 (CH) | 82.1 |
| 8 (CH) | 50.1 |
| 9 (CH2) | 71 |
| 1' (C) | 134.1 |
| 2' (CH) | 102.4 |
| 3' (C) | 153.2 |
| 4' (C) | 136.8 |
| 5' (C) | 153.2 |
| 6' (CH) | 102.4 |
| 7' (CH) | 87.6 |
| 8' (CH) | 54.5 |
| 9' (CH2) | 69.7 |
| 1''' (CH2) | 60.9 |
| 3'a (CH3) | 56.1 |
| 4'a (CH3) | 56.1 |
| 5'a (CH3) | 101.1 |
