Spektraris NMR
Elliptone
Common Name: Elliptone
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C20H16O6/c1-22-15-7-12-14(8-16(15)23-2)25-9-17-18(12)19(21)11-3-4-13-10(5-6-24-13)20(11)26-17/h3-8,17-18H,9H2,1-2H3
InChIKey: InChIKey=KPSZGBRARBOMHQ-UHFFFAOYSA-N
Formula: C20H16O6
Molecular Weight: 352.3382
Exact Mass: 352.094688
NMR Solvent: CDCl3
MHz:
Calibration:
NMR references: 13C - Crombie, L., Kilbee, G.W., Whiting, D.A. J Chem Soc, Perkin Trans 1 (1975) 0, 1497-9
Species:
Notes: Family : Flavonoids, Type : Rotenoids; 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) | 109.1 |
| 1a (C) | 103 |
| 2 (C) | 141.7 |
| 3 (C) | 147.4 |
| 4 (CH) | 99.6 |
| 4a (C) | 145.2 |
| 6 (CH2) | 65.1 |
| 6a (CH) | 71.8 |
| 7a (C) | 157.6 |
| 8 (C) | 111.7 |
| 9 (C) | 159 |
| 10 (CH) | 104.9 |
| 11 (CH) | 121.9 |
| 11a (C) | 115 |
| 12 (C) | 186.6 |
| 12a (CH) | 44 |
| 1' (CH) | 103 |
| 2' (CH) | 142.5 |
| 2a (CH3) | 54.9 |
| 3a (CH3) | 55.5 |
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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.