Spektraris NMR
Aporpinone A
Common Name: Aporpinone A
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C11H12O4/c1-8(6-12)2-3-9(7-13)10-4-5-11(14)15-10/h4-5,8,12-13H,6-7H2,1H3/b10-9+
InChIKey: InChIKey=OHZIHJXRVSHUBQ-MDZDMXLPSA-N
Formula: C11H12O4
Molecular Weight: 208.211004
Exact Mass: 208.073559
NMR Solvent: CDCl3
MHz:
Calibration:
NMR references: 13C - M., Wright J.E., Seldes A.M Phytochemistry (2003) 62, 239-43
Species:
Notes: Family : Miscellanea, Type : Butanolides; 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 |
|---|---|
| 2 (C) | 168.9 |
| 3 (CH) | 120 |
| 4 (CH) | 139.6 |
| 5 (C) | 153.6 |
| 1' (C) | 109.1 |
| 2' (C) | 77.2 |
| 3' (C) | 106.5 |
| 4' (CH) | 30.7 |
| 5' (CH2) | 66.4 |
| 6' (CH3) | 16.6 |
| 1'' (CH2) | 60.6 |
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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.