Spektraris NMR
Common Name:
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C21H22O8/c1-11(22)28-19-7-12(6-18(26-4)21(19)27-5)15-10-14(23)20-16(25-3)8-13(24-2)9-17(20)29-15/h6-9,15H,10H2,1-5H3/t15-/m0/s1
InChIKey: InChIKey=VHFGJXJOXKFKDK-HNNXBMFYSA-N
Formula: C21H22O8
Molecular Weight: 402.39539
Exact Mass: 402.131468
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) | 79.4 |
| 3 (CH2) | 46.2 |
| 4 (C) | 187.7 |
| 5 (C) | 165.6 |
| 6 (CH) | 94.5 |
| 7 (C) | 166.7 |
| 8 (CH) | 93.8 |
| 9 (C) | 163.3 |
| 10 (C) | 106.7 |
| 1' (C) | 135.9 |
| 2' (CH) | 113.9 |
| 3' (C) | 145.3 |
| 4' (C) | 142.1 |
| 5' (C) | 154.7 |
| 6' (CH) | 109.5 |
| 5a (CH3) | 56.1 |
| 7a (CH3) | 56.2 |
| 3'a (C) | 169.2 |
| 3'b (CH3) | 20.5 |
| 4'a (CH3) | 60.6 |
| 5'a (CH3) | 56.6 |
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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.