Spektraris NMR
7R,8R,8S-Aketrilignoside B
Common Name: 7R,8R,8S-Aketrilignoside B
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C28H36O14/c1-36-16-5-12(6-17(37-2)22(16)31)21(30)14-10-40-27(13-7-18(38-3)23(32)19(8-13)39-4)15(14)11-41-28-26(35)25(34)24(33)20(9-29)42-28/h5-8,14-15,20,24-29,31-35H,9-11H2,1-4H3/t14-,15-,20-,24-,25+,26-,27+,28-/m1/s1
InChIKey: InChIKey=PGIMKLFKVKUCPJ-GMJXFMTPSA-N
Formula: C28H36O14
Molecular Weight: 596.578141
Exact Mass: 596.210506
NMR Solvent: CDCl3
MHz:
Calibration:
NMR references: 13C - Guan, S.H., Xia, J.M., Lu, Z.Q., Chen, G.T., Jiang, B.H., Liu, X., Guo, D.A. Magn Reson Chem (2008) 46, 186-90
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) | 130.1 |
| 2 (CH) | 108.2 |
| 3 (C) | 149.6 |
| 4 (C) | 143.7 |
| 5 (C) | 149.6 |
| 6 (CH) | 108.2 |
| 7 (C) | 201.3 |
| 8 (CH) | 48.8 |
| 9 (CH2) | 72 |
| 1' (C) | 133.9 |
| 2' (CH) | 105.1 |
| 3' (C) | 149.8 |
| 4' (C) | 136.8 |
| 5' (C) | 149.8 |
| 6' (CH) | 105.1 |
| 7' (CH) | 85.5 |
| 8' (CH) | 53.7 |
| 9' (CH2) | 68.4 |
| 1'' (CH) | 104.6 |
| 2'' (CH) | 75.6 |
| 3'' (CH) | 78.4 |
| 4'' (CH) | 72 |
| 5'' (CH) | 78.2 |
| 6'' (CH2) | 63.2 |
| 3a (CH3) | 57.4 |
| 5a (CH3) | 57.4 |
| 3'a (CH3) | 57.3 |
| 5'a (CH3) | 57.3 |
