Spektraris NMR
Wighteone
Common Name: Wighteone
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C20H18O5/c1-11(2)3-8-14-16(22)9-17-18(19(14)23)20(24)15(10-25-17)12-4-6-13(21)7-5-12/h3-7,9-10,21-23H,8H2,1-2H3
InChIKey: InChIKey=KIMDVVKVNNSHGZ-UHFFFAOYSA-N
Formula: C20H18O5
Molecular Weight: 338.354676
Exact Mass: 338.115424
NMR Solvent: DMSO-d6
MHz:
Calibration:
NMR references: 13C - Lane, G.A., Newman, R.H. Phytochemistry (1987) 26, 295-300
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) | 153.8 |
| 3 (C) | 122.3 |
| 4 (C) | 180.4 |
| 5 (C) | 159 |
| 6 (C) | 111.2 |
| 7 (C) | 162.1 |
| 8 (CH) | 93 |
| 9 (C) | 155.5 |
| 10 (C) | 104.4 |
| 1' (C) | 121.5 |
| 2' (CH) | 130.3 |
| 3' (CH) | 115.2 |
| 4' (C) | 157.2 |
| 5' (CH) | 115.2 |
| 6' (CH) | 130.3 |
| 6a (CH2) | 21.2 |
| 6b (CH) | 122.3 |
| 6c (C) | 130.8 |
| 6d (CH3) | 25.6 |
| 6e (CH3) | 17.8 |
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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.