Spektraris NMR
Orobol
Common Name: Orobol
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C15H10O6/c16-8-4-12(19)14-13(5-8)21-6-9(15(14)20)7-1-2-10(17)11(18)3-7/h1-6,16-19H
InChIKey: InChIKey=IOYHCQBYQJQBSK-UHFFFAOYSA-N
Formula: C15H10O6
Molecular Weight: 286.236876
Exact Mass: 286.047738
NMR Solvent: DMSO-d6
MHz:
Calibration:
NMR references: 13C - Vanheerden, F.R., Brandt, E.V., Roux, D.G. J Chem Soc, Perkin Trans 1 (1980) 0, 2463-9
Species:
Notes: Family : Flavonoids, Type : Isoflavonoids, Group : Isoflavones; 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) | 151.7 |
| 3 (C) | 120.6 |
| 4 (C) | 177.9 |
| 5 (C) | 155.5 |
| 6 (CH) | 97.6 |
| 7 (C) | 162.3 |
| 8 (CH) | 92.3 |
| 9 (C) | 159.8 |
| 10 (C) | 102.6 |
| 1' (C) | 120 |
| 2' (CH) | 115 |
| 3' (C) | 143.6 |
| 4' (C) | 143 |
| 5' (CH) | 113.8 |
| 6' (CH) | 118.2 |
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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.