Spektraris NMR
Mearnsetin
Common Name: Mearnsetin
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C16H12O8/c1-23-16-9(19)2-6(3-10(16)20)15-14(22)13(21)12-8(18)4-7(17)5-11(12)24-15/h2-5,17-20,22H,1H3
InChIKey: InChIKey=HKEQVXVLTOSXLQ-UHFFFAOYSA-N
Formula: C16H12O8
Molecular Weight: 332.262303
Exact Mass: 332.053217
NMR Solvent: CD3OD
MHz:
Calibration:
NMR references: 13C - Sakushima, A., Coskun, M., Hisada, S., Nishibe, S. Phytochemistry (1983) 22, 1677-8
Species:
Notes: Family : Flavonoids, Type : Flavonoids, Group : Flavonols; 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 (C) | 145.8 |
| 3 (C) | 136.4 |
| 4 (C) | 175.8 |
| 5 (C) | 160.4 |
| 6 (CH) | 98 |
| 7 (C) | 164.1 |
| 8 (CH) | 93.1 |
| 9 (C) | 156.1 |
| 10 (C) | 102.9 |
| 1' (C) | 119.8 |
| 2' (CH) | 107.1 |
| 3' (C) | 125.7 |
| 4' (C) | 150.3 |
| 5' (C) | 125.7 |
| 6' (CH) | 107.1 |
| 4'a (CH3) | 59.6 |
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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.