Spektraris NMR
Millettone
Common Name: Millettone
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C22H20O6/c1-22(2)6-5-11-14(28-22)4-3-12-20(23)19-13-7-16-17(26-10-25-16)8-15(13)24-9-18(19)27-21(11)12/h3-4,7-8,18-19H,5-6,9-10H2,1-2H3
InChIKey: InChIKey=IAFATVLPBBJEBM-UHFFFAOYSA-N
Formula: C22H20O6
Molecular Weight: 380.391434
Exact Mass: 380.125988
NMR Solvent:
MHz:
Calibration:
NMR references: 13C - Yenesew, A., Midiwo, J.O., Waterman, P.G. J Nat Prod (1997) 60, 806-7
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) | 107.2 |
| 1a (C) | 106 |
| 2 (C) | 148 |
| 3 (C) | 142.6 |
| 4 (CH) | 99 |
| 4a (C) | 148.6 |
| 6 (CH2) | 66.5 |
| 6a (CH) | 72.4 |
| 7a (C) | 157 |
| 8 (C) | 109.3 |
| 9 (C) | 160.3 |
| 10 (CH) | 117.7 |
| 11 (CH) | 128.6 |
| 11a (C) | 112.8 |
| 12 (C) | 189.3 |
| 12a (CH) | 44.9 |
| 1' (CH2) | 115.9 |
| 2' (CH2) | 128.7 |
| 3' (C) | 77.9 |
| 4' (CH3) | 28.7 |
| 5' (CH3) | 28.4 |
| 2a (CH2) | 101.3 |
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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.