Spektraris NMR
Penduletin
Common Name: Penduletin
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C18H16O7/c1-22-12-8-11-13(14(20)17(12)23-2)15(21)18(24-3)16(25-11)9-4-6-10(19)7-5-9/h4-8,19-20H,1-3H3
InChIKey: InChIKey=YSXFFLGRZJWNFM-UHFFFAOYSA-N
Formula: C18H16O7
Molecular Weight: 344.316133
Exact Mass: 344.089603
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) | 138.8 |
| 4 (C) | 179 |
| 5 (C) | 152.8 |
| 6 (C) | 132.4 |
| 7 (C) | 158.8 |
| 8 (CH) | 90.4 |
| 9 (C) | 152.4 |
| 10 (C) | 107.7 |
| 1' (C) | 123.1 |
| 2' (CH) | 130.4 |
| 3' (CH) | 115.7 |
| 4' (C) | 158.1 |
| 5' (CH) | 115.7 |
| 6' (CH) | 130.4 |
| 3a (CH3) | 60.2 |
| 6a (CH3) | 60.9 |
| 7a (CH3) | 56.3 |
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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.