Spektraris NMR
Patuletin 3-O-sulfate
Common Name: Patuletin 3-O-sulfate
Synonyms: Patuletin 3-O-sulfate
CAS Registry Number:
InChI: InChI=1S/C16H12O11S/c1-25-15-9(19)5-10-11(12(15)20)13(21)16(27-28(22,23)24)14(26-10)6-2-3-7(17)8(18)4-6/h2-5,17-20H,1H3,(H,22,23,24)
InChIKey: InChIKey=ORORUIBIFGBBGD-UHFFFAOYSA-N
Formula: C16H12O11S1
Molecular Weight: 412.326602
Exact Mass: 412.010032
NMR Solvent: DMSO-d6
MHz:
Calibration:
NMR references: 13C - Barron, D., Colebrook, L.D., Ibrahim, R.K. Phytochemistry (1986) 25, 1719-21
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) | 156.6 |
| 3 (C) | 132 |
| 4 (C) | 178 |
| 5 (C) | 152.5 |
| 6 (C) | 131.1 |
| 7 (C) | 157 |
| 8 (CH) | 93.6 |
| 9 (C) | 151.3 |
| 10 (C) | 104.5 |
| 1' (C) | 121.6 |
| 2' (CH) | 115.1 |
| 3' (C) | 144.7 |
| 4' (C) | 148.3 |
| 5' (CH) | 115.9 |
| 6' (CH) | 121.6 |
| 6a (CH3) | 60 |
