Spektraris NMR
isobavachin
Common Name: isobavachin
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C20H20O4/c1-12(2)6-7-15-17(22)9-8-16-18(23)11-19(24-20(15)16)13-4-3-5-14(21)10-13/h3-6,8-10,19,21-22H,7,11H2,1-2H3
InChIKey: InChIKey=BSXMPAAKYYXBEQ-UHFFFAOYSA-N
Formula: C20H20O4
Molecular Weight: 324.371153
Exact Mass: 324.136159
NMR Solvent: DMSO-d6
MHz:
Calibration:
NMR references: 13C - M. Komatsu, I. Yokoe, Y. Shirataki Chem Pharm Bull (1978) 26, 3863
Species:
Notes: Family : Flavonoids, Type : Flavonoids, Group : Flavanones; 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) | 78.8 |
| 3 (CH2) | 43 |
| 4 (C) | 191 |
| 5 (CH) | 125.4 |
| 6 (CH) | 113.8 |
| 7 (C) | 162.1 |
| 8 (C) | 109.8 |
| 9 (C) | 160.8 |
| 10 (C) | 115.1 |
| 1' (C) | 129.8 |
| 2' (CH) | 128.2 |
| 3' (C) | 115.3 |
| 4' (CH) | 157.7 |
| 5' (CH) | 115.3 |
| 6' (CH) | 128.2 |
| 8a (CH2) | 22 |
| 8b (CH) | 122.9 |
| 8c (C) | 139 |
| 8d (CH3) | 18 |
| 8e (CH3) | 26 |
Copyright © 2024
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.