Spektraris NMR
Duartin
Common Name: Duartin
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C18H20O6/c1-21-14-7-5-12(17(22-2)15(14)20)11-8-10-4-6-13(19)18(23-3)16(10)24-9-11/h4-7,11,19-20H,8-9H2,1-3H3
InChIKey: InChIKey=QVVPJFBYFYYVDM-UHFFFAOYSA-N
Formula: C18H20O6
Molecular Weight: 332.348491
Exact Mass: 332.125988
NMR Solvent: C+M
MHz:
Calibration:
NMR references: 13C - Wenkert, E., Gottlieb, H.E. Phytochemistry (1977) 16, 1811-6
Species:
Notes: Family : Flavonoids, Type : Isoflavonoids, Group : Isoflavanones; 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 (CH2) | 70.3 |
| 3 (CH) | 31.4 |
| 4 (CH2) | 31.5 |
| 5 (CH) | 123.9 |
| 6 (CH) | 106.3 |
| 7 (C) | 147.2 |
| 8 (C) | 134.6 |
| 9 (C) | 146.8 |
| 10 (C) | 115.1 |
| 1' (C) | 127 |
| 2' (C) | 145.1 |
| 3' (C) | 138.5 |
| 4' (C) | 146.4 |
| 5' (CH) | 106.9 |
| 6' (CH) | 116.7 |
| 8a (CH3) | 56 |
| 2'a (CH3) | 60.8 |
| 4'a (CH3) | 60.8 |
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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.