Spektraris NMR
6,7-Epoxy-3(15)-caryophyllene
Common Name: 6,7-Epoxy-3(15)-caryophyllene
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C15H24O/c1-10-5-6-13-15(4,16-13)8-7-12-11(10)9-14(12,2)3/h11-13H,1,5-9H2,2-4H3/t11-,12-,13-,15-/m1/s1
InChIKey: InChIKey=NVEQFIOZRFFVFW-RGCMKSIDSA-N
Formula: C15H24O1
Molecular Weight: 220.351021
Exact Mass: 220.182715
NMR Solvent: CDCl3
MHz:
Calibration:
NMR references: 13C - Reina, M., Nold, M., Santana, O., Orihuela, J.C., Gonzalez-Coloma, A. J Nat Prod (2002) 65, 448-53
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) | 50.7 |
| 2 (CH2) | 27.1 |
| 3 (CH2) | 39.1 |
| 4 (C) | 59.8 |
| 5 (CH) | 63.7 |
| 6 (CH2) | 30.1 |
| 7 (CH2) | 29.7 |
| 8 (C) | 151.8 |
| 9 (CH) | 48.7 |
| 10 (CH2) | 39.7 |
| 11 (C) | 33.9 |
| 12 (CH3) | 29.8 |
| 13 (CH3) | 21.5 |
| 14 (CH3) | 16.9 |
| 15 (CH2) | 112.7 |
