Spektraris NMR
4,5-Epoxy-13-hydroxy-β-caryophyllene
Common Name: 4,5-Epoxy-13-hydroxy-β-caryophyllene
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C15H24O2/c1-10-4-5-13-15(3,17-13)7-6-12-11(10)8-14(12,2)9-16/h11-13,16H,1,4-9H2,2-3H3/t11-,12-,13+,14-,15-/m1/s1
InChIKey: InChIKey=XLKXIWMHACWINL-UXXRCYHCSA-N
Formula: C15H24O2
Molecular Weight: 236.350426
Exact Mass: 236.17763
NMR Solvent: CDCl3
MHz:
Calibration:
NMR references: 13C - Macleod, J.K., Rasmussen, H.B. Phytochemistry (1999) 50, 105-8
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) | 51.4 |
| 2 (CH2) | 26.2 |
| 3 (CH2) | 39.3 |
| 4 (C) | 59.7 |
| 5 (CH) | 63.6 |
| 6 (CH2) | 29.8 |
| 7 (CH2) | 30.1 |
| 8 (C) | 151.7 |
| 9 (CH) | 48.3 |
| 10 (CH2) | 35.2 |
| 11 (C) | 38.6 |
| 12 (CH2) | 66.9 |
| 13 (CH3) | 24.9 |
| 14 (CH3) | 16.9 |
| 15 (CH2) | 113 |
