Spektraris NMR
Epoxyeleoanolacton
Common Name: Epoxyeleoanolacton
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C20H30O4/c1-13(2)11-16(21)12-15(4)9-5-7-14(3)8-6-10-17-18-20(23-18)24-19(17)22/h8-9,11,16-18,20-21H,5-7,10,12H2,1-4H3/b14-8+,15-9+/t16-,17?,18?,20?/m1/s1
InChIKey: InChIKey=MWCBIZFZQBYZJE-SPOQGDDGSA-N
Formula: C20H30O4
Molecular Weight: 334.45056
Exact Mass: 334.214409
NMR Solvent: CDCl3
MHz:
Calibration:
NMR references: 13C - Valls, R., Piovetti, L., Banaigs, B., Archavlis, A., Pellegrini, M. Phytochemistry (1995) 39, 145-9
Species:
Notes: Family : Terpenoids, Type : Diterpenoids, Group : Phytanes; 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) | 77.6 |
| 2 (CH) | 53.7 |
| 3 (CH) | 43.1 |
| 4 (CH2) | 26.8 |
| 5 (CH2) | 25.8 |
| 6 (CH) | 123 |
| 7 (C) | 134.9 |
| 8 (CH2) | 39.5 |
| 9 (CH2) | 26.4 |
| 10 (CH) | 128.2 |
| 11 (C) | 131.9 |
| 12 (CH2) | 48.2 |
| 13 (CH) | 65.7 |
| 14 (CH) | 127.5 |
| 15 (C) | 137 |
| 16 (CH3) | 25.8 |
| 17 (CH3) | 18.2 |
| 18 (CH3) | 16.2 |
| 19 (CH3) | 16 |
| 20 (C) | 175.6 |
