Spektraris NMR
3,19-Dinor-valparolan-4-one
Common Name: 3,19-Dinor-valparolan-4-one
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C18H32O/c1-12(2)14-6-10-18(4)15(14)7-9-17(3)8-5-13(19)11-16(17)18/h12-16,19H,5-11H2,1-4H3/t13?,14-,15+,16+,17-,18+/m0/s1
InChIKey: InChIKey=ICBYTGLLFOTZSR-SDJHSENKSA-N
Formula: C18H32O1
Molecular Weight: 264.446755
Exact Mass: 264.245316
NMR Solvent: CDCl3
MHz:
Calibration:
NMR references: 13C - Urones, J.G., Marcos, I.S., Basabe, P., Alonso, C., Oliva, I.M., Garrido, N.M., Martin, D.D., Lithgow, A.M. Tetrahedron (1993) 34, 4051-62
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) | 33.5 |
| 2 (CH2) | 31.6 |
| 3 (CH) | 72.3 |
| 4 (CH2) | 43.2 |
| 5 (CH) | 54.7 |
| 6 (C) | 44.3 |
| 7 (CH) | 55.3 |
| 8 (CH2) | 22.6 |
| 9 (CH2) | 43.8 |
| 10 (C) | 33.8 |
| 11 (CH2) | 40.8 |
| 12 (CH2) | 27.6 |
| 13 (CH) | 47.9 |
| 14 (CH) | 31.9 |
| 15 (CH3) | 22.7 |
| 16 (CH3) | 23.6 |
| 17 (CH3) | 15.7 |
| 18 (CH3) | 20.6 |
