Spektraris NMR
TMS-quercetin
Common Name: TMS-quercetin
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C30H50O7Si5/c1-38(2,3)33-22-19-25-27(26(20-22)36-41(10,11)12)28(31)30(37-42(13,14)15)29(32-25)21-16-17-23(34-39(4,5)6)24(18-21)35-40(7,8)9/h16-20H,1-15H3
InChIKey: InChIKey=VISLTJDFZRIFEA-UHFFFAOYSA-N
Formula: C30H50O7S5
Molecular Weight: 683.045373
Exact Mass: 682.216007
NMR Solvent: DMSO-d6
MHz:
Calibration:
NMR references: 13C - Schraml, J., Blechta, V., Sykora, J., Soukupova, L., Curinova, P., Pronek, D., Lachman, J. Magn Reson Chem (2005) 43, 829-34
Species:
Notes: Family : Flavonoids, Type : Flavonoids, Group : Flavonols; 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 (C) | 147.75 |
| 3 (C) | 137.36 |
| 4 (C) | 173.26 |
| 5 (C) | 156.29 |
| 6 (CH) | 109.67 |
| 7 (C) | 159.21 |
| 8 (CH) | 101.44 |
| 9 (C) | 157.6 |
| 10 (C) | 111.52 |
| 1' (C) | 125.42 |
| 2' (CH) | 120.88 |
| 3' (C) | 146.27 |
| 4' (C) | 148.01 |
| 5' (CH) | 120.42 |
| 6' (CH) | 122.32 |
| 3a (CH3) | 1.95 |
| 3b (CH3) | 1.95 |
| 3c (CH3) | 1.95 |
| 5a (CH3) | 0.36 |
| 5b (CH3) | 0.36 |
| 5c (CH3) | 0.36 |
| 7a (CH3) | 0.31 |
| 7b (CH3) | 0.31 |
| 7c (CH3) | 0.31 |
| 3'a (CH3) | 0.21 |
| 3'b (CH3) | 0.21 |
| 3'c (CH3) | 0.21 |
| 4'a (CH3) | 0.19 |
| 4'b (CH3) | 0.19 |
| 4'c (CH3) | 0.19 |
