Spektraris NMR
Cyperenoic acid methyl ester
Common Name: Cyperenoic acid methyl ester
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C16H24O2/c1-10-5-6-11-9-13-12(14(17)18-4)7-8-16(10,13)15(11,2)3/h10-11H,5-9H2,1-4H3/t10-,11-,16+/m1/s1
InChIKey: InChIKey=DGOUGOOBFKBPQX-UVWXRNBGSA-N
Formula: C16H24O2
Molecular Weight: 248.361162
Exact Mass: 248.17763
NMR Solvent: CDCl3
MHz:
Calibration:
NMR references: 13C - Achenbach, H., Benirschke, G. Phytochemistry (1997) 45, 149-57
Species:
Notes: Family : Terpenoids, Type : Sesquiterpenoids, Group : Guaianes; 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) | 67.8 |
| 2 (CH2) | 25.7 |
| 3 (CH2) | 36.7 |
| 4 (C) | 123.3 |
| 5 (C) | 169.3 |
| 6 (CH2) | 31.1 |
| 7 (CH) | 48.2 |
| 8 (CH2) | 27 |
| 9 (CH2) | 27.9 |
| 10 (CH) | 35.9 |
| 11 (C) | 41.6 |
| 12 (CH3) | 26.2 |
| 13 (CH3) | 19.3 |
| 14 (CH3) | 17.9 |
| 15 (C) | 166 |
| 15a (CH3) | 50.9 |
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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.