Spektraris NMR
2,3 trans
Common Name: 2,3 trans
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C15H12O7/c16-8-3-1-6(5-10(8)18)14-13(21)11(19)7-2-4-9(17)12(20)15(7)22-14/h1-5,13-14,16-18,20-21H/t13-,14+/m0/s1
InChIKey: InChIKey=MBLFTUVXKRACOC-UONOGXRCSA-N
Formula: C15H12O7
Molecular Weight: 304.252162
Exact Mass: 304.058303
NMR Solvent: CD3COCD3
MHz:
Calibration:
NMR references: 13C - L. Y. Foo Phytochemistry (1987) 26, 813
Species:
Notes: Family : Flavonoids, Type : Flavonoids, Group : Flavanonols; 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) | 85 |
| 3 (CH) | 74 |
| 4 (C) | 194.2 |
| 5 (CH) | 121.2 |
| 6 (CH) | 111.7 |
| 7 (C) | 153.4 |
| 8 (C) | 133.3 |
| 9 (C) | 151.6 |
| 10 (C) | 113.7 |
| 1' (C) | 129.4 |
| 2' (CH) | 116.2 |
| 3' (C) | 145.6 |
| 4' (C) | 146.4 |
| 5' (CH) | 116.6 |
| 6' (CH) | 119.7 |
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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.