Spektraris NMR
14-Acetoxy-4,5-dihydro-beta-caryophyllene
Common Name: 14-Acetoxy-4,5-dihydro-beta-caryophyllene
Synonyms: 14-Acetoxy-4,5-dihydro-beta-caryophyllene
CAS Registry Number:
InChI: InChI=1S/C17H28O2/c1-12-6-5-7-14(11-19-13(2)18)8-9-16-15(12)10-17(16,3)4/h14-16H,1,5-11H2,2-4H3/t14-,15+,16+/m0/s1
InChIKey: InChIKey=IUJQNPWRCLHBKE-ARFHVFGLSA-N
Formula: C17H28O2
Molecular Weight: 264.403661
Exact Mass: 264.20893
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) | 55.4 |
| 2 (CH2) | 28.1 |
| 3 (CH2) | 29.4 |
| 4 (CH) | 37.1 |
| 5 (CH2) | 31.7 |
| 6 (CH2) | 27.1 |
| 7 (CH2) | 35.1 |
| 8 (C) | 153.4 |
| 9 (CH) | 45.8 |
| 10 (CH2) | 37.4 |
| 11 (C) | 33.5 |
| 12 (CH3) | 29.9 |
| 13 (CH3) | 21.9 |
| 14 (CH2) | 69.4 |
| 15 (CH2) | 109.6 |
| 14a (C) | 171.3 |
| 14b (CH3) | 21 |
