Spektraris NMR
Retusin
Common Name: Retusin
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C19H18O7/c1-22-11-8-12(20)16-15(9-11)26-18(19(25-4)17(16)21)10-5-6-13(23-2)14(7-10)24-3/h5-9,20H,1-4H3
InChIKey: InChIKey=HHGPYJLEJGNWJA-UHFFFAOYSA-N
Formula: C19H18O7
Molecular Weight: 358.34275
Exact Mass: 358.105253
NMR Solvent: CDCl3
MHz:
Calibration:
NMR references: 13C - Sy, L.K., Brown, G.D. Phytochemistry (1998) 48, 1207-11
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) | 155.9 |
| 3 (C) | 139.1 |
| 4 (C) | 178.8 |
| 5 (C) | 162.1 |
| 6 (CH) | 97.9 |
| 7 (C) | 165.5 |
| 8 (CH) | 92.3 |
| 9 (C) | 156.8 |
| 10 (C) | 107.8 |
| 1' (C) | 123 |
| 2' (CH) | 111.4 |
| 3' (C) | 148.9 |
| 4' (C) | 151.5 |
| 5' (CH) | 111 |
| 6' (CH) | 122.2 |
| 3a (CH3) | 60.2 |
| 7a (CH3) | 55.8 |
| 3'a (CH3) | 56.1 |
| 4'a (CH3) | 56 |
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The Spektraris NMR database is developed and hosted by the Lange laboratory at WSU. CAS Registry Number is a Registered Trademark of the American Chemical Society.