Spektraris NMR
Sativanone
Common Name: Sativanone
Synonyms: Sativanone
CAS Registry Number:
InChI: InChI=1S/C17H16O5/c1-20-11-4-6-12(15(8-11)21-2)14-9-22-16-7-10(18)3-5-13(16)17(14)19/h3-8,14,18H,9H2,1-2H3
InChIKey: InChIKey=JOVYBWHPTQRVNZ-UHFFFAOYSA-N
Formula: C17H16O5
Molecular Weight: 300.306587
Exact Mass: 300.099774
NMR Solvent: CD3COCD3
MHz:
Calibration:
NMR references: 13C - Jain, A.C., Nayyar, N.K. Indian J Chem, Sect B (1987) 26, 136-9
Species:
Notes: Family : Flavonoids, Type : Isoflavonoids, Group : Isoflavanones; 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 (CH2) | 71.8 |
| 3 (CH) | 48 |
| 4 (C) | 191.6 |
| 5 (CH) | 131.5 |
| 6 (CH) | 103.4 |
| 7 (C) | 165.1 |
| 8 (CH) | 99.7 |
| 9 (C) | 164.7 |
| 10 (C) | 115.8 |
| 1' (C) | 117.4 |
| 2' (C) | 159.5 |
| 3' (CH) | 105.7 |
| 4' (C) | 161.4 |
| 5' (CH) | 111.2 |
| 6' (CH) | 130 |
| 2'a (CH3) | 55.6 |
| 4'a (CH3) | 55.9 |
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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.