Spektraris NMR
Scopariol
Common Name: Scopariol
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C15H22O2/c1-11-5-6-14(4,17)12(2)15(11)9-7-13(3,16)8-10-15/h5,7,9,16-17H,2,6,8,10H2,1,3-4H3/t13?,14-,15+/m1/s1
InChIKey: InChIKey=LWILYKOQWHWUQO-DMJDIKPUSA-N
Formula: C15H22O2
Molecular Weight: 234.334545
Exact Mass: 234.16198
NMR Solvent: CDCl3
MHz:
Calibration:
NMR references: 13C - Davyt, D., Fernandez, R., Suescun, L., Mombru, A.W., Saldana, J., Dominguez, L., Coll, J., Fujii, M.T., Manta, E. J Nat Prod (2001) 64, 1552-5
Species:
Notes: Family : Terpenoids, Type : Sesquiterpenoids, Group : Chamigranes; 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) | 136.5 |
| 2 (CH) | 133.7 |
| 3 (C) | 67 |
| 4 (CH2) | 33.2 |
| 5 (CH2) | 25.7 |
| 6 (C) | 48.3 |
| 7 (C) | 154.6 |
| 8 (C) | 72.5 |
| 9 (CH2) | 42.6 |
| 10 (CH) | 121.9 |
| 11 (C) | 137.9 |
| 12 (CH3) | 20.1 |
| 13 (CH3) | 29.5 |
| 14 (CH2) | 110.2 |
| 15 (CH3) | 30.3 |
