Spektraris NMR
Common Name:
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C19H14O7/c1-10(20)26-15-6-4-12-17(21)13(8-23-18(12)19(15)22-2)11-3-5-14-16(7-11)25-9-24-14/h3-8H,9H2,1-2H3
InChIKey: InChIKey=MHBYWZLIUODMSK-UHFFFAOYSA-N
Formula: C19H14O7
Molecular Weight: 354.310987
Exact Mass: 354.073953
NMR Solvent: CDCl3
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) | 152.2 |
| 3 (C) | 123.8 |
| 4 (C) | 175.5 |
| 5 (CH) | 120.2 |
| 6 (CH) | 121.1 |
| 7 (C) | 147 |
| 8 (C) | 140.9 |
| 9 (C) | 150.6 |
| 10 (C) | 125.1 |
| 1' (C) | 125.3 |
| 2' (CH) | 109.7 |
| 3' (C) | 147.8 |
| 4' (C) | 147.9 |
| 5' (CH) | 108.5 |
| 6' (CH) | 122.5 |
| 7a (C) | 61.7 |
| 7b (CH3) | 168.3 |
| 8a (CH3) | 20.7 |
| 3'a (CH2) | 101.3 |
Copyright © 2025
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.