Spektraris NMR
3a,4a-Epoxyvalpar-15-en-2-one
Common Name: 3a,4a-Epoxyvalpar-15-en-2-one
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C20H30O2/c1-12(2)13-6-9-19(4)14(13)7-8-18(3)11-16(21)20(5)17(22-20)10-15(18)19/h13-15,17H,1,6-11H2,2-5H3/t13-,14-,15-,17+,18-,19-,20-/m1/s1
InChIKey: InChIKey=NWFRKUSAZFQODI-OWOZTDJGSA-N
Formula: C20H30O2
Molecular Weight: 302.45175
Exact Mass: 302.22458
NMR Solvent: CDCl3
MHz:
Calibration:
NMR references: 13C - Rodilla, J.M.L., De Mendonca, D.I.M., Urones, J.G., Moro, R.F., Williams, D.J. Phytochemistry (1998) 47, 1545-9
Species:
Notes: Family : Terpenoids, Type : Diterpenoids, Group : Valparanes; 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 (CH2) | 51.3 |
| 2 (C) | 208.8 |
| 3 (C) | 64.8 |
| 4 (CH) | 63.9 |
| 5 (CH2) | 27 |
| 6 (CH) | 56.1 |
| 7 (C) | 46.3 |
| 8 (CH) | 54.6 |
| 9 (CH2) | 21.7 |
| 10 (CH2) | 41.5 |
| 11 (C) | 36 |
| 12 (CH2) | 41.7 |
| 13 (CH2) | 26.6 |
| 14 (CH) | 46.2 |
| 15 (C) | 147.8 |
| 16 (CH2) | 110.5 |
| 17 (CH3) | 25 |
| 18 (CH3) | 16.6 |
| 19 (CH3) | 17.1 |
| 20 (CH3) | 22.5 |
