Spektraris NMR
Maximaisoflavone E
Common Name: Maximaisoflavone E
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C18H14O6/c1-20-14-6-4-11-16(19)12(8-22-17(11)18(14)21-2)10-3-5-13-15(7-10)24-9-23-13/h3-8H,9H2,1-2H3
InChIKey: InChIKey=CWWOTSCQLMYLDQ-UHFFFAOYSA-N
Formula: C18H14O6
Molecular Weight: 326.300846
Exact Mass: 326.079038
NMR Solvent: DMSO-d6
MHz:
Calibration:
NMR references: 13C - Rao, E.V., Murthy, M.S.R., Ward, R.S. Phytochemistry (1984) 23, 1493-501
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) | 153.7 |
| 3 (C) | 122.9 |
| 4 (C) | 174.7 |
| 5 (CH) | 120.8 |
| 6 (CH) | 110.9 |
| 7 (C) | 156.1 |
| 8 (C) | 136.1 |
| 9 (C) | 149.8 |
| 10 (C) | 118.4 |
| 1' (C) | 125.5 |
| 2' (CH) | 109.4 |
| 3' (C) | 147 |
| 4' (C) | 147 |
| 5' (CH) | 108 |
| 6' (CH) | 122.4 |
| 7a (CH3) | 56.5 |
| 8a (CH3) | 60.9 |
| 3'a (CH2) | 101 |
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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.