Spektraris NMR
Common Name:
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C18H16O5/c1-2-7-22-12-5-3-11(4-6-12)14-10-23-17-9-16(20)15(19)8-13(17)18(14)21/h3-6,8-10,19-20H,2,7H2,1H3
InChIKey: InChIKey=MBNIVWNDBKKIDV-UHFFFAOYSA-N
Formula: C18H16O5
Molecular Weight: 312.317323
Exact Mass: 312.099774
NMR Solvent: CDDl3 + DMSO-d6
MHz:
Calibration:
NMR references: 13C - Jha, B.C., Zilliken, F., Breitmaier, B. Can J Chem (1980) 58, 1211
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) | 152.3 |
| 3 (C) | 122.8 |
| 4 (C) | 174.6 |
| 5 (CH) | 108.3 |
| 6 (C) | 144.7 |
| 7 (C) | 152.2 |
| 8 (CH) | 102.8 |
| 9 (C) | 151.2 |
| 10 (C) | 116.8 |
| 1' (C) | 124.6 |
| 2' (CH) | 130 |
| 3' (CH) | 114.1 |
| 4' (C) | 158.5 |
| 5' (CH) | 114.1 |
| 6' (CH) | 130 |
| 4'a (CH2) | 69.1 |
| 4'b (CH2) | 22.2 |
| 4'c (CH3) | 10.4 |
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.