Spektraris NMR
Calycosin
Common Name: Calycosin
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C16H12O5/c1-20-14-5-2-9(6-13(14)18)12-8-21-15-7-10(17)3-4-11(15)16(12)19/h2-8,17-18H,1H3
InChIKey: InChIKey=ZZAJQOPSWWVMBI-UHFFFAOYSA-N
Formula: C16H12O5
Molecular Weight: 284.264088
Exact Mass: 284.068473
NMR Solvent: DMSO-d6
MHz:
Calibration:
NMR references: 13C - Du, X., Bai, Y., Liang, H., Wang, Z., Zhao, Y., Zhang, Q., Huang, L. Magn Reson Chem (2006) 44, 708-12
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) | 153.1 |
| 3 (C) | 123.4 |
| 4 (C) | 174.7 |
| 5 (CH) | 127.4 |
| 6 (CH) | 115.2 |
| 7 (C) | 162.6 |
| 8 (CH) | 102.2 |
| 9 (C) | 157.4 |
| 10 (C) | 116.7 |
| 1' (C) | 124.7 |
| 2' (CH) | 116.8 |
| 3' (C) | 146.1 |
| 4' (C) | 147.6 |
| 5' (CH) | 112 |
| 6' (CH) | 120 |
| 4'b (CH3) | 55.7 |
