Spektraris NMR
(8R,8'R,9S)-cubebin
Common Name: (8R,8'R,9S)-cubebin
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C20H20O6/c21-20-15(6-13-2-4-17-19(8-13)26-11-24-17)14(9-22-20)5-12-1-3-16-18(7-12)25-10-23-16/h1-4,7-8,14-15,20-21H,5-6,9-11H2/t14-,15+,20-/m0/s1
InChIKey: InChIKey=DIYWRNLYKJKHAM-MDOVXXIYSA-N
Formula: C20H20O6
Molecular Weight: 356.369963
Exact Mass: 356.125988
NMR Solvent: CDCl3
MHz:
Calibration:
NMR references: 13C - de Pascoli, I.C., Nascimento, I.R., Lopes, L.M. Phytochemistry (2006) 67, 735-42
Species:
Notes: Family : Lignans, Type : Lignans, Group : Dibenzylbutyrolactones; 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) | 134.5 |
| 2 (CH) | 109.3 |
| 3 (C) | 147.5 |
| 4 (C) | 145.9 |
| 5 (CH) | 108.1 |
| 6 (CH) | 121.6 |
| 7 (CH2) | 38.8 |
| 8 (CH) | 42.9 |
| 9 (CH2) | 72.5 |
| 1' (C) | 133.8 |
| 2' (CH) | 108.9 |
| 3' (C) | 147.7 |
| 4' (C) | 145.7 |
| 5' (CH) | 108.2 |
| 6' (CH) | 121.3 |
| 7' (CH2) | 33.6 |
| 8' (CH) | 51.9 |
| 9' (CH) | 98.8 |
| 3a (CH2) | 100.8 |
| 3'a (CH2) | 100.8 |
