Spektraris NMR
Valpara-2,15-diene-1,4-dione
Common Name: Valpara-2,15-diene-1,4-dione
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C20H28O2/c1-12(2)14-6-8-19(4)15(14)7-9-20(5)17(19)11-16(21)13(3)10-18(20)22/h10,14-15,17H,1,6-9,11H2,2-5H3/t14-,15-,17+,19-,20+/m1/s1
InChIKey: InChIKey=SBODROVMJJKITK-XUMMFJMYSA-N
Formula: C20H28O2
Molecular Weight: 300.435869
Exact Mass: 300.20893
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 (C) | 208.5 |
| 2 (CH) | 134.5 |
| 3 (C) | 143.5 |
| 4 (C) | 202.8 |
| 5 (CH2) | 42.8 |
| 6 (CH) | 48.6 |
| 7 (C) | 45.5 |
| 8 (CH) | 54.5 |
| 9 (CH2) | 21.2 |
| 10 (CH2) | 39.5 |
| 11 (C) | 50.7 |
| 12 (CH2) | 41.2 |
| 13 (CH2) | 26.8 |
| 14 (CH) | 46 |
| 15 (C) | 147.5 |
| 16 (CH2) | 110.7 |
| 17 (CH3) | 25 |
| 18 (CH3) | 16.6 |
| 19 (CH3) | 19.9 |
| 20 (CH3) | 19 |
