Spektraris NMR
Vernobockolides B
Common Name: Vernobockolides B
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C21H28O9/c1-5-27-11-13-16-14(29-18(13)24)8-19(3)6-7-21(26,30-19)20(4,25)9-15(16)28-17(23)12(2)10-22/h8,15,22,25-26H,2,5-7,9-11H2,1,3-4H3/b14-8+/t15-,19+,20+,21-/m0/s1
InChIKey: InChIKey=HOFRGMYPAFLIJR-CYDVCVIESA-N
Formula: C21H28O9
Molecular Weight: 424.442439
Exact Mass: 424.173332
NMR Solvent: CDCl3
MHz:
Calibration:
NMR references: 13C - Huo, J., Yang, S.P., Xie, B.J., Liao, S.G., Lin, L.P., Ding, J., Yue, J.M. J Asian Nat Prod Res (2008) 10, 571-5
Species:
Notes: Family : Terpenoids, Type : Sesquiterpenoids, Group : Germacranes; 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 (C) | 108.8 |
| 2 (CH2) | 32.1 |
| 3 (CH2) | 37.8 |
| 4 (C) | 82.4 |
| 5 (CH) | 125.3 |
| 6 (C) | 150.4 |
| 7 (C) | 144.1 |
| 8 (CH) | 65.3 |
| 9 (CH2) | 38 |
| 10 (C) | 77.4 |
| 11 (C) | 133.2 |
| 12 (C) | 167.4 |
| 13 (CH2) | 66.7 |
| 14 (CH3) | 26.4 |
| 15 (CH3) | 28.9 |
| 8a (C) | 165 |
| 8b (C) | 138.9 |
| 8c (CH2) | 129.4 |
| 8d (CH2) | 62.3 |
| 13a (CH2) | 61.5 |
| 13b (CH3) | 15.1 |
