Spektraris NMR
Patuletin 3,3'-di-O-sulfate
Common Name: Patuletin 3,3'-di-O-sulfate
Synonyms: Patuletin 3,3'-di-O-sulfate
CAS Registry Number:
InChI: InChI=1S/C16H12O14S2/c1-27-15-8(18)5-10-11(12(15)19)13(20)16(30-32(24,25)26)14(28-10)6-2-3-7(17)9(4-6)29-31(21,22)23/h2-5,17-19H,1H3,(H,21,22,23)(H,24,25,26)
InChIKey: InChIKey=KMCMUHSBUJKBFB-UHFFFAOYSA-N
Formula: C16H12O14S2
Molecular Weight: 492.390902
Exact Mass: 491.966846
NMR Solvent: DMSO-d6
MHz:
Calibration:
NMR references: 13C - Barron, D., Ibrahim, R.K. Phytochemistry (1987) 26, 1181-4
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) | 155.7 |
| 3 (C) | 132.2 |
| 4 (C) | 177.8 |
| 5 (C) | 152.3 |
| 6 (C) | 131.4 |
| 7 (C) | 156.2 |
| 8 (CH) | 93.8 |
| 9 (C) | 157.4 |
| 10 (C) | 104.1 |
| 1' (C) | 123.1 |
| 2' (CH) | 121.6 |
| 3' (C) | 140.5 |
| 4' (C) | 152 |
| 5' (CH) | 116.8 |
| 6' (CH) | 126.9 |
| 6a (CH3) | 59.8 |
