Spektraris NMR
1,3,13-Valparatriene
Common Name: 1,3,13-Valparatriene
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C20H30/c1-14(2)16-9-13-20(5)17(16)10-12-19(4)11-8-15(3)6-7-18(19)20/h6,8-9,11,14,17-18H,7,10,12-13H2,1-5H3/t17-,18-,19+,20-/m1/s1
InChIKey: InChIKey=SFAKXYPRPFSNLM-YSTOQKLRSA-N
Formula: C20H30
Molecular Weight: 270.452941
Exact Mass: 270.234751
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. Phytochemistry (1993) 34, 747-50
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 (CH) | 145.9 |
| 2 (CH) | 128.7 |
| 3 (C) | 135.4 |
| 4 (CH) | 124.6 |
| 5 (CH2) | 28.5 |
| 6 (CH) | 52.3 |
| 7 (C) | 46.9 |
| 8 (CH) | 51.1 |
| 9 (CH2) | 26.3 |
| 10 (CH2) | 42.1 |
| 11 (C) | 41.3 |
| 12 (CH2) | 41.8 |
| 13 (CH) | 117.2 |
| 14 (C) | 148.1 |
| 15 (CH) | 33.3 |
| 16 (CH3) | 20.3 |
| 17 (CH3) | 21.8 |
| 18 (CH3) | 17.9 |
| 19 (CH3) | 25.1 |
| 20 (CH3) | 25.1 |
