Spektraris NMR
Kaempferol 3,7,4'-tri-O-sulfate
Common Name: Kaempferol 3,7,4'-tri-O-sulfate
Synonyms: Kaempferol 3,7,4'-tri-O-sulfate
CAS Registry Number:
InChI: InChI=1S/C15H10O15S3/c16-10-5-9(29-32(21,22)23)6-11-12(10)13(17)15(30-33(24,25)26)14(27-11)7-1-3-8(4-2-7)28-31(18,19)20/h1-6,16H,(H,18,19,20)(H,21,22,23)(H,24,25,26)
InChIKey: InChIKey=PCYBUYVULWMAJX-UHFFFAOYSA-N
Formula: C15H10O15S3
Molecular Weight: 526.429774
Exact Mass: 525.918182
NMR Solvent: DMSO-d6
MHz:
Calibration:
NMR references: 13C - Barron, D., Ibrahim, R.K. Tetrahedron (1987) 43, 5197-202
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) | 155.6 |
| 3 (C) | 133.3 |
| 4 (C) | 177.7 |
| 5 (C) | 161.4 |
| 6 (CH) | 102.3 |
| 7 (C) | 159.3 |
| 8 (CH) | 96.6 |
| 9 (C) | 155.9 |
| 10 (C) | 106.7 |
| 1' (C) | 124.7 |
| 2' (CH) | 129.8 |
| 3' (CH) | 119.2 |
| 4' (C) | 155.6 |
| 5' (CH) | 119.2 |
| 6' (CH) | 129.8 |
