Spektraris NMR
4-epi-Aubergenone
Common Name: 4-epi-Aubergenone
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C15H24O2/c1-10-12-9-11(14(2,3)17)5-7-15(12,4)8-6-13(10)16/h6,8,10-12,17H,5,7,9H2,1-4H3/t10-,11-,12+,15+/m1/s1
InChIKey: InChIKey=MSSWKGZMPUXALD-FJJYHAOUSA-N
Formula: C15H24O2
Molecular Weight: 236.350426
Exact Mass: 236.17763
NMR Solvent: CDCl3
MHz:
Calibration:
NMR references: 13C - Uegaki, R., Kubo, S., Fujimori, T. Phytochemistry (1988) 27, 365-8
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 (CH) | 160.4 |
| 2 (CH) | 126.2 |
| 3 (C) | 202.2 |
| 4 (CH) | 42.7 |
| 5 (CH) | 48.3 |
| 6 (CH2) | 25.2 |
| 7 (CH) | 48.5 |
| 8 (CH2) | 21.9 |
| 9 (CH2) | 37.8 |
| 10 (C) | 36.1 |
| 11 (C) | 72.5 |
| 12 (CH3) | 26.8 |
| 13 (CH3) | 27.5 |
| 14 (CH3) | 17.1 |
| 15 (CH3) | 11.8 |
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The Spektraris NMR database is developed and hosted by the Lange laboratory at WSU. CAS Registry Number is a Registered Trademark of the American Chemical Society.