Spektraris NMR
(4R,5S,8R)-5,8-Epoxycaryophyllane-4,14-diol
Common Name: (4R,5S,8R)-5,8-Epoxycaryophyllane-4,14-diol
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C15H26O3/c1-13(9-16)8-11-10(13)4-6-14(2,17)12-5-7-15(11,3)18-12/h10-12,16-17H,4-9H2,1-3H3/t10-,11+,12-,13-,14-,15+/m1/s1
InChIKey: InChIKey=KZECFWSPXFFTBL-FVUFVHQMSA-N
Formula: C15H26O3
Molecular Weight: 254.365713
Exact Mass: 254.188195
NMR Solvent: CDCl3
MHz:
Calibration:
NMR references: 13C - Duran-Patron, R., Aleu, J., Hernandez-Galan, R., Collado, I.G. J Nat Prod (2000) 63, 44-7
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) | 39.4 |
| 2 (CH2) | 24.7 |
| 3 (CH2) | 40.1 |
| 4 (C) | 73.4 |
| 5 (CH) | 61.2 |
| 6 (CH2) | 28.7 |
| 7 (CH2) | 30.1 |
| 8 (C) | 72.8 |
| 9 (CH) | 51.4 |
| 10 (CH2) | 38.4 |
| 11 (C) | 36.6 |
| 12 (CH2) | 70.4 |
| 13 (CH3) | 18.15 |
| 14 (CH3) | 16.3 |
| 15 (CH3) | 31.6 |
