Spektraris NMR
5-Acetoxy-5,6-dihydro-6,14-dehydrocaryophyllene
Common Name: 5-Acetoxy-5,6-dihydro-6,14-dehydrocaryophyllene
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C17H26O2/c1-11-7-9-16(19-13(3)18)12(2)6-8-15-14(11)10-17(15,4)5/h14-16H,1-2,6-10H2,3-5H3/t14-,15-,16?/m1/s1
InChIKey: InChIKey=MWERDWMFVGCBLL-YGFGXBMJSA-N
Formula: C17H26O2
Molecular Weight: 262.38778
Exact Mass: 262.19328
NMR Solvent: CDCl3
MHz:
Calibration:
NMR references: 13C - Comey, N., Grey, A.I., Hook, I.L., James, P., Sheridan, H. Phytochemistry (1999) 50, 1057-60
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) | 54.8 |
| 2 (CH2) | 30.8 |
| 3 (CH2) | 34.8 |
| 4 (C) | 147.5 |
| 5 (CH) | 77.1 |
| 6 (CH2) | 32.8 |
| 7 (CH2) | 30.7 |
| 8 (C) | 150.2 |
| 9 (CH) | 44.2 |
| 10 (CH2) | 37.1 |
| 11 (C) | 33.8 |
| 12 (CH3) | 22.1 |
| 13 (CH3) | 30.1 |
| 14 (CH2) | 109.6 |
| 15 (CH2) | 115.7 |
| 5a (C) | 170.5 |
| 5b (CH3) | 21.6 |
