Spektraris NMR
Common Name:
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C19H20O7/c1-22-11-7-15(23-2)18-12(20)9-14(26-16(18)8-11)10-5-13(21)19(25-4)17(6-10)24-3/h5-8,14,21H,9H2,1-4H3/t14-/m0/s1
InChIKey: InChIKey=QBBRQIBDXYCVOD-AWEZNQCLSA-N
Formula: C19H20O7
Molecular Weight: 360.358632
Exact Mass: 360.120903
NMR Solvent: CD3COCD3
MHz:
Calibration:
NMR references: 13C - T. Endo, H. Taguchi, I. Yosioka Chem Pharm Bull (1981) 0, 29
Species:
Notes: Family : Flavonoids, Type : Flavonoids, Group : Flavanones; 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 (CH) | 79.8 |
| 3 (CH2) | 46.3 |
| 4 (C) | 188.1 |
| 5 (C) | 165.6 |
| 6 (CH) | 94.5 |
| 7 (C) | 166.6 |
| 8 (CH) | 93.6 |
| 9 (C) | 163.2 |
| 10 (C) | 106.7 |
| 1' (C) | 136 |
| 2' (CH) | 107.8 |
| 3' (C) | 151.3 |
| 4' (C) | 137.3 |
| 5' (C) | 154.2 |
| 6' (CH) | 103 |
| 5a (CH3) | 56 |
| 7a (CH3) | 56.1 |
| 4'a (CH3) | 56.3 |
| 5'a (CH3) | 60.3 |
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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.