Spektraris NMR
Celerioside B
Common Name: Celerioside B
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C21H36O8/c1-19(2,29-18-17(26)16(25)15(24)12(9-22)28-18)11-4-7-21-10-27-20(3,13(21)8-11)6-5-14(21)23/h11-18,22-26H,4-10H2,1-3H3/t11-,12-,13+,14-,15-,16+,17-,18+,20-,21+/m1/s1
InChIKey: InChIKey=SVTDNHQQQWBECF-LEEPDZEMSA-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) | 76.65 |
| 2 (CH2) | 30.47 |
| 3 (CH2) | 39.1 |
| 4 (C) | 82.9 |
| 5 (CH) | 50.16 |
| 6 (CH2) | 25.28 |
| 7 (CH) | 46.85 |
| 8 (CH2) | 23.58 |
| 9 (CH2) | 28.96 |
| 10 (C) | 49.03 |
| 11 (C) | 79.69 |
| 12 (CH3) | 23.85 |
| 13 (CH3) | 24.69 |
| 14 (CH2) | 68.41 |
| 15 (CH3) | 21.61 |
| 1' (CH) | 98.67 |
| 2' (CH) | 75.39 |
| 3' (CH) | 78.9 |
| 4' (CH) | 71.93 |
| 5' (CH) | 78.05 |
| 6' (CH2) | 63.14 |
