Spektraris NMR
14-hydroxy-4,5-dihydro-beta-caryophyllene
Common Name: 14-hydroxy-4,5-dihydro-beta-caryophyllene
Synonyms: 14-hydroxy-4,5-dihydro-beta-caryophyllene
CAS Registry Number:
InChI: InChI=1S/C15H26O/c1-11-5-4-6-12(10-16)7-8-14-13(11)9-15(14,2)3/h12-14,16H,1,4-10H2,2-3H3/t12-,13+,14+/m0/s1
InChIKey: InChIKey=QPKKKWDNDWSIRV-BFHYXJOUSA-N
Formula: C15H26O1
Molecular Weight: 222.366903
Exact Mass: 222.198365
NMR Solvent: CDCl3
MHz:
Calibration:
NMR references: 13C - Demirci, B., Baser, K.H., Demirci, F., Hamann, M.T. J Nat Prod (2000) 63, 902-4
Species:
Notes: Family : Terpenoids, Type : Sesquiterpenoids, Group : Caryophyllanes; 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) | 55.9 |
| 2 (CH2) | 30.1 |
| 3 (CH2) | 32.1 |
| 4 (CH) | 40.9 |
| 5 (CH2) | 28.4 |
| 6 (CH2) | 27.6 |
| 7 (CH2) | 35.5 |
| 8 (C) | 153.9 |
| 9 (CH) | 46.3 |
| 10 (CH2) | 37.7 |
| 11 (C) | 33.4 |
| 12 (CH3) | 30.3 |
| 13 (CH3) | 22.3 |
| 14 (CH2) | 68.7 |
| 15 (CH2) | 109.8 |
