Spektraris NMR
Common Name:
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C21H18O8/c1-11(22)28-17-9-16-18(21(20(17)26-4)29-12(2)23)19(24)15(10-27-16)13-5-7-14(25-3)8-6-13/h5-10H,1-4H3
InChIKey: InChIKey=PSDUEZZJCFRGBW-UHFFFAOYSA-N
Formula: C21H18O8
Molecular Weight: 398.363627
Exact Mass: 398.100168
NMR Solvent: DMSO-d6
MHz:
Calibration:
NMR references: 13C - Carman, R.M., Russellmaynard, J.K.L., Schumann, R.C. Aust J Chem (1985) 38, 485-96
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) | 151.6 |
| 3 (C) | 123.5 |
| 4 (C) | 174.7 |
| 5 (C) | 142.9 |
| 6 (C) | 142.2 |
| 7 (C) | 148.2 |
| 8 (CH) | 110.2 |
| 9 (C) | 152.7 |
| 10 (C) | 116.6 |
| 1' (C) | 125.6 |
| 2' (CH) | 130.3 |
| 3' (CH) | 114 |
| 4' (C) | 159.7 |
| 5' (CH) | 114 |
| 6' (CH) | 130.3 |
| 5a (C) | 167.9 |
| 5b (CH3) | 20.7 |
| 6a (CH3) | 61.8 |
| 7a (C) | 169.1 |
| 7b (CH3) | 21.1 |
| 4'a (CH3) | 55.3 |
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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.