Spektraris NMR
Diderroside methyl ester
Common Name: Diderroside methyl ester
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C20H30O13/c1-8(31-9(2)22)14-10(5-13(23)28-3)11(18(27)29-4)7-30-19(14)33-20-17(26)16(25)15(24)12(6-21)32-20/h7-8,10,12,14-17,19-21,24-26H,5-6H2,1-4H3/t8?,10-,12-,14-,15-,16+,17-,19+,20+/m1/s1
InChIKey: InChIKey=GHGFDNVEGGUXDM-RBNSYDSSSA-N
Formula: C20H30O13
Molecular Weight: 478.445205
Exact Mass: 478.168641
NMR Solvent: DMSO-d6
MHz:
Calibration:
NMR references: 13C - Cardona Zuleta, L.M., Cavalheiro, A.J., Siqueira Silva, D.H., Furlan, M., Marx Young, M.C., Albuquerque, S., Castro-Gamboa, I., da Silva Bolzani, V. Phytochemistry (2003) 64, 549-53
Species:
Notes: Family : Terpenoids, Type : Monoterpenoids, Group : Iridoids; 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 (CH) | 94.9 |
| 3 (CH) | 152.5 |
| 4 (C) | 108.7 |
| 5 (CH) | 28.6 |
| 6 (CH2) | 34.7 |
| 7 (C) | 172 |
| 8 (CH) | 68.6 |
| 9 (CH) | 42.2 |
| 10 (CH3) | 18.7 |
| 11 (C) | 166.3 |
| 1' (CH) | 98.9 |
| 2' (CH) | 73.3 |
| 3' (CH) | 76.7 |
| 4' (CH) | 70.1 |
| 5' (CH) | 77.2 |
| 6' (CH2) | 61.4 |
| 7a (CH3) | 51.4 |
| 8a (C) | 169.8 |
| 8b (CH3) | 20.9 |
| 11a (CH3) | 51.1 |
