Spektraris NMR
Celerioside E
Common Name: Celerioside E
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C21H38O8/c1-19(2,29-18-17(26)16(25)15(24)12(10-22)28-18)11-5-7-20(3)13(9-11)21(4,27)8-6-14(20)23/h11-18,22-27H,5-10H2,1-4H3/t11-,12-,13-,14-,15-,16+,17-,18+,20-,21-/m1/s1
InChIKey: InChIKey=KAPPVCFMUONHIO-NLBIRPCGSA-N
Formula: C21H38O8
Molecular Weight: 418.522442
Exact Mass: 418.256668
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) | 79.42 |
| 2 (CH2) | 29.89 |
| 3 (CH2) | 42.02 |
| 4 (C) | 71.41 |
| 5 (CH) | 53.37 |
| 6 (CH2) | 21.83 |
| 7 (CH) | 48.21 |
| 8 (CH2) | 23.87 |
| 9 (CH2) | 41.99 |
| 10 (C) | 39.84 |
| 11 (C) | 80.27 |
| 12 (CH3) | 23.83 |
| 13 (CH3) | 25.5 |
| 14 (CH3) | 14.08 |
| 15 (CH3) | 23.34 |
| 1' (CH) | 98.54 |
| 2' (CH) | 75.47 |
| 3' (CH) | 78.74 |
| 4' (CH) | 72.14 |
| 5' (CH) | 78.58 |
| 6' (CH2) | 63.06 |
