Spektraris NMR
Aketrilignoside A
Common Name: Aketrilignoside A
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C28H36O15/c1-36-14-5-12(6-15(37-2)19(14)30)24-27(34)10-41-25(28(27,35)11-40-24)13-7-16(38-3)23(17(8-13)39-4)43-26-22(33)21(32)20(31)18(9-29)42-26/h5-8,18,20-22,24-26,29-35H,9-11H2,1-4H3/t18-,20-,21+,22-,24-,25-,26+,27+,28+/m1/s1
InChIKey: InChIKey=ZTLWTTGMQKDUJJ-FZQVFYDMSA-N
Formula: C28H36O15
Molecular Weight: 612.577546
Exact Mass: 612.20542
NMR Solvent: DMSO-d6
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 : 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) | 133.4 |
| 2 (CH) | 106.1 |
| 3 (C) | 152 |
| 4 (C) | 133.9 |
| 5 (C) | 152 |
| 6 (CH) | 106.1 |
| 7 (CH) | 87 |
| 8 (C) | 87.6 |
| 9 (CH2) | 74.5 |
| 1' (C) | 127.6 |
| 2' (CH) | 105.4 |
| 3' (C) | 147.3 |
| 4' (C) | 134.8 |
| 5' (C) | 147.3 |
| 6' (CH) | 105.4 |
| 7' (CH) | 87.1 |
| 8' (C) | 87.7 |
| 9' (CH2) | 74.4 |
| 1'' (CH) | 102.9 |
| 2'' (CH) | 74.1 |
| 3'' (CH) | 76.3 |
| 4'' (CH) | 69.8 |
| 5'' (CH) | 77.1 |
| 6'' (CH2) | 60.8 |
| 3a (CH3) | 56.4 |
| 5a (CH3) | 56.4 |
| 3'a (CH3) | 56 |
| 6'a (CH3) | 56 |
