Spektraris NMR
Vernobockolides A
Common Name: Vernobockolides A
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C21H30O8/c1-6-27-10-12-15-14(28-17(22)11(2)3)9-20(5,25)13-7-8-19(4,24)16(13)21(15,26)29-18(12)23/h13-14,16,24-26H,2,6-10H2,1,3-5H3/t13-,14+,16-,19-,20-,21-/m1/s1
InChIKey: InChIKey=UDURGXQDBTXNOE-OKQNBYGCSA-N
Formula: C21H30O8
Molecular Weight: 410.458916
Exact Mass: 410.194068
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 : Guaianes; 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) | 50.6 |
| 2 (CH2) | 24 |
| 3 (CH2) | 41.9 |
| 4 (C) | 83.8 |
| 5 (CH) | 54.8 |
| 6 (C) | 108.1 |
| 7 (C) | 159.8 |
| 8 (CH) | 65.5 |
| 9 (CH2) | 44.5 |
| 10 (C) | 72.7 |
| 11 (C) | 129.2 |
| 12 (C) | 169.5 |
| 13 (CH2) | 61.9 |
| 14 (CH3) | 21.7 |
| 15 (CH3) | 29.7 |
| 8a (C) | 166.1 |
| 8b (C) | 135.6 |
| 8c (CH2) | 126.6 |
| 8d (CH3) | 18.4 |
| 13a (CH2) | 67 |
| 13b (CH3) | 14.9 |
