Spektraris NMR
Spinacetin
Common Name: Spinacetin
Synonyms: Spinacetin
CAS Registry Number:
InChI: InChI=1S/C17H14O8/c1-23-10-5-7(3-4-8(10)18)16-15(22)13(20)12-11(25-16)6-9(19)17(24-2)14(12)21/h3-6,18-19,21-22H,1-2H3
InChIKey: InChIKey=XWIDINOKCRFVHQ-UHFFFAOYSA-N
Formula: C17H14O8
Molecular Weight: 346.28892
Exact Mass: 346.068867
NMR Solvent: DMSO-d6
MHz:
Calibration:
NMR references: 13C - Aritomi, M., Komori, T., Kawasaki, T. Phytochemistry (1986) 25, 231-4
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) | 147.3 |
| 3 (C) | 135.4 |
| 4 (C) | 176 |
| 5 (C) | 151.6 |
| 6 (C) | 130.8 |
| 7 (C) | 151.3 |
| 8 (CH) | 93.8 |
| 9 (C) | 157.1 |
| 10 (C) | 103.4 |
| 1' (C) | 122 |
| 2' (CH) | 111.8 |
| 3' (C) | 145.7 |
| 4' (C) | 148.8 |
| 5' (CH) | 115.5 |
| 6' (CH) | 121.7 |
| 6a (CH3) | 60 |
| 3'a (CH3) | 55.7 |
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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.