Spektraris NMR
kobusin
Common Name: kobusin
Synonyms: kobusin
CAS Registry Number:
InChI: InChI=1S/C21H22O6/c1-22-16-5-3-12(7-18(16)23-2)20-14-9-25-21(15(14)10-24-20)13-4-6-17-19(8-13)27-11-26-17/h3-8,14-15,20-21H,9-11H2,1-2H3/t14-,15-,20+,21+/m0/s1
InChIKey: InChIKey=AWOGQCSIVCQXBT-VUEDXXQZSA-N
Formula: C21H22O6
Molecular Weight: 370.39658
Exact Mass: 370.141638
NMR Solvent: CDCl3
MHz:
Calibration:
NMR references: 13C - Ahmed, A.A., Mahmoud, A.A., Ali, E.T., Tzakou, O., Couladis, M., Mabry, T.J., Gati, T., Toth, G. Phytochemistry (2002) 59, 851-6
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) | 135.3 |
| 2 (CH) | 106.7 |
| 3 (C) | 148.2 |
| 4 (C) | 147.3 |
| 5 (CH) | 108.4 |
| 6 (CH) | 119.6 |
| 7 (CH) | 86 |
| 8 (CH) | 54.6 |
| 9 (CH2) | 72 |
| 1' (C) | 133.7 |
| 2' (CH) | 109.4 |
| 3' (C) | 149.5 |
| 4' (C) | 148.9 |
| 5' (CH) | 111.3 |
| 6' (CH) | 118.5 |
| 7' (CH) | 86 |
| 8' (CH) | 54.4 |
| 9' (CH2) | 71.9 |
| 3a (CH2) | 101.3 |
| 3'a (CH3) | 56.1 |
| 4'a (CH3) | 56.2 |
