Spektraris NMR
Celerioside C
Common Name: Celerioside C
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C21H36O8/c1-11-4-5-15(24)21(10-23)7-6-12(8-13(11)21)20(2,3)29-19-18(27)17(26)16(25)14(9-22)28-19/h12-19,22-27H,1,4-10H2,2-3H3/t12-,13+,14-,15-,16-,17+,18-,19+,21+/m1/s1
InChIKey: InChIKey=BYHLWAMJPOIZOR-YHHVIKFQSA-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) | 81.04 |
| 2 (CH2) | 33.12 |
| 3 (CH2) | 34.79 |
| 4 (C) | 149.3 |
| 5 (CH) | 47.19 |
| 6 (CH2) | 25.07 |
| 7 (CH) | 48.32 |
| 8 (CH2) | 22.33 |
| 9 (CH2) | 32.57 |
| 10 (C) | 42.29 |
| 11 (C) | 79.5 |
| 12 (CH3) | 23.96 |
| 13 (CH3) | 24.81 |
| 14 (CH2) | 60.3 |
| 15 (CH2) | 106.73 |
| 1' (CH) | 98.72 |
| 2' (CH) | 75.38 |
| 3' (CH) | 78.95 |
| 4' (CH) | 71.98 |
| 5' (CH) | 78.03 |
| 6' (CH2) | 63.12 |
