Spektraris NMR
1beta-Methoxyvalpara-2,15-diene
Common Name: 1beta-Methoxyvalpara-2,15-diene
Synonyms: 1beta-Methoxyvalpara-2,15-diene
CAS Registry Number:
InChI: InChI=1S/C21H34O/c1-14(2)16-9-11-20(4)17(16)10-12-21(5)18(20)8-7-15(3)13-19(21)22-6/h13,16-19H,1,7-12H2,2-6H3/t16-,17+,18-,19+,20+,21-/m0/s1
InChIKey: InChIKey=RILLYEFSMKTRLH-ONCDUWEWSA-N
Formula: C21H34O1
Molecular Weight: 302.494844
Exact Mass: 302.260966
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. 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) | 86.9 |
| 2 (CH) | 122.7 |
| 3 (C) | 144.3 |
| 4 (CH2) | 33.4 |
| 5 (CH2) | 24.9 |
| 6 (CH) | 53.2 |
| 7 (C) | 46.7 |
| 8 (CH) | 54.5 |
| 9 (CH2) | 21.8 |
| 10 (CH2) | 40.2 |
| 11 (C) | 40.3 |
| 12 (CH2) | 41.7 |
| 13 (CH2) | 27.4 |
| 14 (CH) | 46.7 |
| 15 (C) | 148.8 |
| 16 (CH2) | 110.1 |
| 17 (CH3) | 24.9 |
| 18 (CH3) | 16.6 |
| 19 (CH3) | 26.4 |
| 20 (CH3) | 20.9 |
| 1a (CH3) | 58.5 |
