Spektraris NMR
Tetrahydrovalparolone
Common Name: Tetrahydrovalparolone
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C20H34O/c1-13(2)16-7-11-20(5)17(16)8-10-19(4)9-6-15(14(3)21)12-18(19)20/h13,15-18H,6-12H2,1-5H3/t15?,16-,17+,18+,19-,20+/m0/s1
InChIKey: InChIKey=CHQSTFBMYJVMPX-FNNVPLPHSA-N
Formula: C20H34O1
Molecular Weight: 290.484108
Exact Mass: 290.260966
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) | 44.5 |
| 2 (CH2) | 25.7 |
| 3 (C) | 212 |
| 4 (CH) | 56.4 |
| 5 (CH2) | 42.2 |
| 6 (CH) | 52.8 |
| 7 (C) | 44.5 |
| 8 (CH) | 55.9 |
| 9 (CH2) | 24.1 |
| 10 (CH2) | 44.1 |
| 11 (C) | 34.2 |
| 12 (CH2) | 41.8 |
| 13 (CH2) | 27.6 |
| 14 (CH) | 47.9 |
| 15 (CH) | 31.9 |
| 16 (CH3) | 22.7 |
| 17 (CH3) | 23.9 |
| 18 (CH3) | 15.6 |
| 19 (CH3) | 27.9 |
| 20 (CH3) | 20.5 |
