Spektraris NMR
Petuletin
Common Name: Petuletin
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C16H12O8/c1-23-16-9(19)5-10-11(13(16)21)12(20)14(22)15(24-10)6-2-3-7(17)8(18)4-6/h2-5,17-19,21-22H,1H3
InChIKey: InChIKey=JMIFIYIEXODVTO-UHFFFAOYSA-N
Formula: C16H12O8
Molecular Weight: 332.262303
Exact Mass: 332.053217
NMR Solvent: DMSO-d6
MHz:
Calibration:
NMR references: 13C - Becchi, M., Carrier, M. Planta Med (1980) 38, 267-8
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) | 147.1 |
| 3 (C) | 135.5 |
| 4 (C) | 176.1 |
| 5 (C) | 151.8 |
| 6 (C) | 130.9 |
| 7 (C) | 157.2 |
| 8 (CH) | 93.7 |
| 9 (C) | 151.4 |
| 10 (C) | 103.5 |
| 1' (C) | 122.1 |
| 2' (CH) | 115.2 |
| 3' (C) | 145.1 |
| 4' (C) | 147.8 |
| 5' (CH) | 115.7 |
| 6' (CH) | 120.1 |
| 6a (CH3) | 59.9 |
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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.