Spektraris NMR
Isomicrocionin-3
Common Name: Isomicrocionin-3
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C15H22O/c1-12-5-4-9-15(2,3)14(12)7-6-13-8-10-16-11-13/h8,10-11H,4-7,9H2,1-3H3
InChIKey: InChIKey=LJRKHCGOCFDRRA-UHFFFAOYSA-N
Formula: C15H22O1
Molecular Weight: 218.33514
Exact Mass: 218.167065
NMR Solvent: CDCl3
MHz:
Calibration:
NMR references: 13C - Gaspar, H., Santos, S., Carbone, M., Rodrigues, A.S., Rodrigues, A.I., Uriz, M.J., Feio, S.M.S., Melck, D., Humanes, M., Gavagnin, M. J Nat Prod (2008) 71, 2049-52
Species:
Notes: Family : Terpenoids, Type : Sesquiterpenoids, Group : Cyclofarnesanes; 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 (C) | 35 |
| 2 (CH2) | 39.8 |
| 3 (CH2) | 19.5 |
| 4 (CH2) | 32.8 |
| 5 (C) | 127.6 |
| 6 (C) | 136.9 |
| 7 (CH2) | 29.5 |
| 8 (CH2) | 25.6 |
| 9 (C) | 125.7 |
| 10 (CH) | 110.9 |
| 11 (CH) | 142.6 |
| 12 (CH3) | 28.6 |
| 13 (CH3) | 28.6 |
| 14 (CH3) | 19.8 |
| 15 (CH) | 138.4 |
