Spektraris NMR
Marrulibanoside
Common Name: Marrulibanoside
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C20H28O5/c1-12-9-14-16-18(2,17(22)25-14)6-4-7-19(16,3)20(12,23)8-5-13-10-15(21)24-11-13/h10,12,14,16,23H,4-9,11H2,1-3H3/t12-,14-,16+,18+,19+,20-/m1/s1
InChIKey: InChIKey=MJNZFQTXIXWYBH-CZCVWDQASA-N
Formula: C20H28O5
Molecular Weight: 348.434084
Exact Mass: 348.193674
NMR Solvent: CDCl3
MHz:
Calibration:
NMR references: 13C - Rigano, D., Grassia, A., Borrelli, F., Aviello, G., Piozzi, F., Bruno, M., Arnold, N.A., Capasso, R., Senatore, F. Planta Med (2006) 72, 575-8
Species:
Notes: Family : Terpenoids, Type : Diterpenoids, Group : Labdanes; 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 (CH2) | 28.92 |
| 2 (CH2) | 18.3 |
| 3 (CH2) | 28.48 |
| 4 (C) | 44.02 |
| 5 (CH) | 45.01 |
| 6 (CH) | 76.02 |
| 7 (CH2) | 32.42 |
| 8 (CH) | 31.59 |
| 9 (C) | 75.56 |
| 10 (C) | 40.05 |
| 11 (CH2) | 32.54 |
| 12 (CH2) | 25.01 |
| 13 (C) | 171.02 |
| 14 (CH) | 115.32 |
| 15 (C) | 174.1 |
| 16 (CH2) | 73.34 |
| 17 (CH3) | 16.81 |
| 18 (C) | 23.2 |
| 19 (CH3) | 183.76 |
| 20 (CH3) | 22.54 |
