Spektraris NMR
(?)-AL-2
Common Name: (?)-AL-2
Synonyms: (?)-AL-2
CAS Registry Number:
InChI: InChI=1S/C14H14O3/c1-2-3-4-5-8-11-12-13(16-12)14(17-11)9-6-7-10-15-14/h8,12-13H,6-7,9-10H2,1H3/b11-8+/t12-,13-,14-/m1/s1
InChIKey: InChIKey=HXGWJMJKRSKLGG-JXBUSTNMSA-N
Formula: C14H14O3
Molecular Weight: 230.259688
Exact Mass: 230.094294
NMR Solvent: CDCl3
MHz:
Calibration:
NMR references: 13C - Piochon, M., Legault, J., Gauthier, C., Pichette, A. Phytochemistry (2009) 70, 228-36
Species:
Notes: Family : Polyketides, Type : Acetogenins; 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) | 63.2 |
| 2 (CH2) | 24.8 |
| 3 (CH2) | 18.6 |
| 4 (CH2) | 28.8 |
| 5 (C) | 105.9 |
| 6 (CH) | 51.9 |
| 7 (CH) | 60 |
| 8 (C) | 164.9 |
| 9 (CH) | 85.8 |
| 10 (C) | 79.6 |
| 11 (C) | 69.8 |
| 12 (C) | 76.6 |
| 13 (C) | 64.7 |
| 14 (CH3) | 4.6 |
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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.