Spektraris NMR
Common Name:
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C20H18O7/c1-11(21)27-20-17-15(9-16(24-3)19(20)25-4)26-10-14(18(17)22)12-5-7-13(23-2)8-6-12/h5-10H,1-4H3
InChIKey: InChIKey=NHTUAAJRHXTWPM-UHFFFAOYSA-N
Formula: C20H18O7
Molecular Weight: 370.353486
Exact Mass: 370.105253
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) | 150.9 |
| 3 (C) | 125.6 |
| 4 (C) | 174.6 |
| 5 (C) | 142.5 |
| 6 (C) | 139.7 |
| 7 (C) | 157.7 |
| 8 (CH) | 98 |
| 9 (C) | 154.3 |
| 10 (C) | 112.1 |
| 1' (C) | 123.9 |
| 2' (CH) | 130.4 |
| 3' (CH) | 114 |
| 4' (C) | 159.7 |
| 5' (CH) | 114 |
| 6' (CH) | 130.4 |
| 5a (C) | 55.3 |
| 5b (CH3) | 56.2 |
| 6a (CH3) | 61.5 |
| 7a (CH3) | 169.5 |
| 4'a (CH3) | 21.1 |
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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.