Spektraris NMR
Vernolide-A
Common Name: Vernolide-A
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C21H28O7/c1-6-12(2)18(23)26-15-9-13(3)21(25-5)8-7-20(4,28-21)10-16-17(15)14(11-22)19(24)27-16/h6,10,13,15,22H,7-9,11H2,1-5H3/b12-6+,16-10+/t13-,15+,20-,21+/m1/s1
InChIKey: InChIKey=KZMMOGWSMBTTFY-GDFGMOSZSA-N
Formula: C21H28O7
Molecular Weight: 392.443629
Exact Mass: 392.183503
NMR Solvent: CDCl3
MHz:
Calibration:
NMR references: 13C - Kuo, Y.H., Kuo, Y.J., Yu, A.S., Wu, M.D., Ong, C.W., Yang Kuo, L.M., Huang, J.T., Chen, C.F., Li, S.Y. Chem Pharm Bull (2003) 51, 425-6
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) | 111.3 |
| 2 (CH2) | 32.8 |
| 3 (CH2) | 39.9 |
| 4 (C) | 80.6 |
| 5 (CH) | 126.3 |
| 6 (C) | 146.7 |
| 7 (C) | 147.6 |
| 8 (CH) | 68.4 |
| 9 (CH2) | 36.1 |
| 10 (CH) | 42.6 |
| 11 (C) | 133.7 |
| 12 (C) | 168.1 |
| 13 (CH2) | 54.4 |
| 14 (CH3) | 16.8 |
| 15 (CH3) | 27.6 |
| 1a (CH3) | 48.9 |
| 8a (C) | 168.4 |
| 8b (C) | 128.4 |
| 8c (CH) | 139.4 |
| 8d (CH3) | 14.6 |
| 8ba (CH3) | 11.9 |
