Spektraris NMR
5a-Epoxyalantolactone
Common Name: 5a-Epoxyalantolactone
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C15H20O3/c1-8-5-4-6-14(3)7-10-11(9(2)13(16)17-10)12-15(8,14)18-12/h8,10-12H,2,4-7H2,1,3H3/t8-,10+,11+,12-,14+,15-/m0/s1
InChIKey: InChIKey=YIQKVCDNUFDAHB-HKKVUVRFSA-N
Formula: C15H20O3
Molecular Weight: 248.318068
Exact Mass: 248.141245
NMR Solvent: CDCl3
MHz:
Calibration:
NMR references: 13C - Cantrell, C.L., Abate, L., Fronczek, F.R., Franzblau, S.G., Quijano, L., Fischer, N.H. Planta Med (1999) 65, 351-5
Species:
Notes: Family : Terpenoids, Type : Sesquiterpenoids, Group : Eudesmanes; 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 (CH2) | 37.7 |
| 2 (CH2) | 16.5 |
| 3 (CH2) | 29.5 |
| 4 (CH) | 37.1 |
| 5 (C) | 67.5 |
| 6 (CH) | 61.2 |
| 7 (CH) | 37.4 |
| 8 (CH) | 75.2 |
| 9 (CH2) | 39.6 |
| 10 (C) | 32.6 |
| 11 (C) | 136.7 |
| 12 (C) | 169.7 |
| 13 (CH2) | 123.8 |
| 14 (CH3) | 24 |
| 15 (CH3) | 18.1 |
