Spektraris NMR
Vernolide-B
Common Name: Vernolide-B
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C23H30O8/c1-7-13(2)20(25)29-17-10-14(3)23(27-6)9-8-22(5,31-23)11-18-19(17)16(21(26)30-18)12-28-15(4)24/h7,11,14,17H,8-10,12H2,1-6H3/b13-7+,18-11+/t14-,17+,22-,23+/m1/s1
InChIKey: InChIKey=CIBBPLMBWXKCDP-RRPNGBMBSA-N
Formula: C23H30O8
Molecular Weight: 434.480388
Exact Mass: 434.194068
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) | 111.1 |
| 2 (CH2) | 32.6 |
| 3 (CH2) | 39.8 |
| 4 (C) | 80.4 |
| 5 (CH) | 126.6 |
| 6 (C) | 146.4 |
| 7 (C) | 150.3 |
| 8 (CH) | 68.2 |
| 9 (CH2) | 35.8 |
| 10 (CH) | 42.5 |
| 11 (C) | 129.6 |
| 12 (C) | 167.6 |
| 13 (CH2) | 55.4 |
| 14 (CH3) | 16.7 |
| 15 (CH3) | 27.1 |
| 1a (CH3) | 48.6 |
| 8a (C) | 167.6 |
| 8b (C) | 128.3 |
| 8c (CH) | 138.4 |
| 8d (CH3) | 14.3 |
| 8ba (CH3) | 11.8 |
| 13a (C) | 170.1 |
| 13b (CH3) | 20.6 |
