Spektraris NMR
Celerioside A
Common Name: Celerioside A
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C21H34O9/c1-19(2,29-17-16(26)15(25)14(24)11(9-22)28-17)10-4-7-21-12(8-10)20(3,30-18(21)27)6-5-13(21)23/h10-17,22-26H,4-9H2,1-3H3/t10-,11-,12+,13-,14-,15+,16-,17+,20-,21+/m1/s1
InChIKey: InChIKey=ZJKAPNQKNPVKFU-FDZRUWCCSA-N
Formula: C21H34O9
Molecular Weight: 430.490084
Exact Mass: 430.220283
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) | 74.25 |
| 2 (CH2) | 30.32 |
| 3 (CH2) | 35.4 |
| 4 (C) | 83.25 |
| 5 (CH) | 49.79 |
| 6 (CH2) | 26.18 |
| 7 (CH) | 45.57 |
| 8 (CH2) | 25.09 |
| 9 (CH2) | 28.35 |
| 10 (C) | 54.71 |
| 11 (C) | 79.46 |
| 12 (CH3) | 23.38 |
| 13 (CH3) | 24.73 |
| 14 (C) | 177.57 |
| 15 (CH3) | 20.55 |
| 1' (CH) | 98.55 |
| 2' (CH) | 75.29 |
| 3' (CH) | 78.83 |
| 4' (CH) | 71.86 |
| 5' (CH) | 78.16 |
| 6' (CH2) | 63.11 |
