Spektraris NMR
a-Cadinol
Common Name: a-Cadinol
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C15H26O/c1-10(2)12-7-8-15(4,16)14-6-5-11(3)9-13(12)14/h9-10,12-14,16H,5-8H2,1-4H3/t12-,13-,14+,15+/m0/s1
InChIKey: InChIKey=LHYHMMRYTDARSZ-BYNSBNAKSA-N
Formula: C15H26O1
Molecular Weight: 222.366903
Exact Mass: 222.198365
NMR Solvent: CDCl3
MHz:
Calibration:
NMR references: 13C - Costa, J.G.M., Pessoa, O.D.L., Monte, F.J.Q., Menezes, E.A., Lemos, T.L.G. Quim Nova (2005) 28, 591-5
Species:
Notes: Family : Terpenoids, Type : Sesquiterpenoids, Group : Cadinanes; 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) | 50.3 |
| 2 (CH2) | 23 |
| 3 (CH2) | 31.3 |
| 4 (C) | 134.8 |
| 5 (CH) | 122.7 |
| 6 (CH) | 40.2 |
| 7 (CH) | 47 |
| 8 (CH2) | 22.3 |
| 9 (CH2) | 42.5 |
| 10 (C) | 72.8 |
| 11 (CH) | 26.3 |
| 12 (CH3) | 21.9 |
| 13 (CH3) | 15.5 |
| 14 (CH3) | 21.1 |
| 15 (CH3) | 24.2 |
