Spektraris NMR
Dihydroelliptone
Common Name: Dihydroelliptone
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C20H18O6/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/h3-4,7-8,17-18H,5-6,9H2,1-2H3/t17-,18+/m1/s1
InChIKey: InChIKey=NZVPMEQJVQAGNB-MSOLQXFVSA-N
Formula: C20H18O6
Molecular Weight: 354.354081
Exact Mass: 354.110338
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) | 110.4 |
| 1a (C) | 104.8 |
| 2 (C) | 143.9 |
| 3 (C) | 149.5 |
| 4 (CH) | 100.9 |
| 4a (C) | 147.4 |
| 6 (CH2) | 66.3 |
| 6a (CH) | 72.3 |
| 7a (C) | 158 |
| 8 (C) | 113.3 |
| 9 (C) | 167.9 |
| 10 (CH) | 104.8 |
| 11 (CH) | 129.8 |
| 11a (C) | 113.3 |
| 12 (C) | 188.9 |
| 12a (CH) | 44.6 |
| 1' (CH2) | 26.3 |
| 2' (CH2) | 73 |
| 2a (CH3) | 55.8 |
| 3a (CH3) | 56.3 |
