Spektraris NMR
Oxo-cadinol
Common Name: Oxo-cadinol
Synonyms: Oxo-cadinol
CAS Registry Number:
InChI: InChI=1S/C15H24O2/c1-9(2)11-5-6-15(4,17)13-8-14(16)10(3)7-12(11)13/h7,9,11-13,17H,5-6,8H2,1-4H3/t11-,12-,13+,15+/m0/s1
InChIKey: InChIKey=XZKNRQNOZWYUMT-RMRHIDDWSA-N
Formula: C15H24O2
Molecular Weight: 236.350426
Exact Mass: 236.17763
NMR Solvent: CDCl3
MHz:
Calibration:
NMR references: 13C - Staerk, D., Skole, B., Jorgensen, F.S., Budnik, B.A., Ekpe, P., Jaroszewski, J.W. J Nat Prod (2004) 67, 799-805
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) | 51.2 |
| 2 (CH2) | 38.3 |
| 3 (C) | 200.1 |
| 4 (C) | 135.5 |
| 5 (CH) | 146 |
| 6 (CH) | 40.9 |
| 7 (CH) | 45.1 |
| 8 (CH2) | 21.6 |
| 9 (CH2) | 41.6 |
| 10 (C) | 71.2 |
| 11 (CH) | 26.2 |
| 12 (CH3) | 15.2 |
| 13 (CH3) | 21.5 |
| 14 (CH3) | 16 |
| 15 (CH3) | 21 |
