Spektraris NMR
Celerioside D
Common Name: Celerioside D
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C21H36O8/c1-10-7-13(23)18(27)21(4)6-5-11(8-12(10)21)20(2,3)29-19-17(26)16(25)15(24)14(9-22)28-19/h11-19,22-27H,1,5-9H2,2-4H3/t11-,12+,13+,14-,15-,16+,17-,18-,19+,21-/m1/s1
InChIKey: InChIKey=LHONWXPQABNHFF-HWPLMKENSA-N
Formula: C21H36O8
Molecular Weight: 416.50656
Exact Mass: 416.241018
NMR Solvent: C5D5N
MHz:
Calibration:
NMR references: 13C - Kitajima, J., Ishikawa, T., Satoh, M. Phytochemistry (2003) 64, 1003-11
Species:
Notes: Family : Terpenoids, Type : Sesquiterpenoids, Group : Eudesmanes; 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) | 84.5 |
| 2 (CH) | 71.83 |
| 3 (CH2) | 44.28 |
| 4 (C) | 148.8 |
| 5 (CH) | 48.61 |
| 6 (CH2) | 24.96 |
| 7 (CH) | 48.46 |
| 8 (CH2) | 22.23 |
| 9 (CH2) | 38.01 |
| 10 (C) | 39.98 |
| 11 (C) | 79.55 |
| 12 (CH3) | 24.02 |
| 13 (CH3) | 24.78 |
| 14 (CH3) | 12 |
| 15 (CH2) | 107.94 |
| 1' (CH) | 98.73 |
| 2' (CH) | 75.43 |
| 3' (CH) | 79.95 |
| 4' (CH) | 72.01 |
| 5' (CH) | 78.05 |
| 6' (CH2) | 63.15 |
