Spektraris NMR
ophioceric acid
Common Name: ophioceric acid
Synonyms: ophioceric acid
CAS Registry Number:
InChI: InChI=1S/C15H20O3/c1-8-10-7-14(2,3)5-9-6-15(9,13(17)18)11(10)4-12(8)16/h9,11H,4-7H2,1-3H3,(H,17,18)/t9-,11+,15-/m0/s1
InChIKey: InChIKey=STEFDXGKULBYNU-ISOBSLSZSA-N
Formula: C15H20O3
Molecular Weight: 248.318068
Exact Mass: 248.141245
NMR Solvent: CDCl3
MHz:
Calibration:
NMR references: 13C - Fricke, C., Hardt, I.H., Konig, W.A., Joulain, D., Zygadlo, J.A., Guzman, C. J Nat Prod (1999) 62, 694-6
Species:
Notes: Family : Terpenoids, Type : Sesquiterpenoids, Group : Africananes; 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) | 42.9 |
| 2 (C) | 171.6 |
| 3 (C) | 136.8 |
| 4 (C) | 208.6 |
| 5 (CH2) | 39.1 |
| 6 (CH) | 43.4 |
| 7 (C) | 26 |
| 8 (CH2) | 24 |
| 9 (CH) | 25.5 |
| 10 (CH2) | 41.6 |
| 11 (C) | 34.4 |
| 12 (CH3) | 31.3 |
| 13 (CH3) | 29.2 |
| 14 (C) | 178.6 |
| 15 (CH3) | 8.22 |
