Spektraris NMR
Pongachalcone II
Common Name: Pongachalcone II
Synonyms: Pongachalcone II
CAS Registry Number:
InChI: InChI=1S/C21H20O5/c1-21(2)11-10-15-18(26-21)9-6-14(20(15)24)16(22)7-4-13-5-8-17(23)19(12-13)25-3/h4-12,23-24H,1-3H3/b7-4+
InChIKey: InChIKey=WNUBZQVPFKTBOZ-QPJJXVBHSA-N
Formula: C21H20O5
Molecular Weight: 352.381294
Exact Mass: 352.131074
NMR Solvent: CDCl3
MHz:
Calibration:
NMR references: 13C - Fang, N., Casida, J.E. J Nat Prod (1999) 62, 205-10
Species:
Notes: Family : Flavonoids, Type : Chalconoids; 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 |
|---|---|
| 1 (C) | 127.8 |
| 2 (CH) | 115 |
| 3 (C) | 148.5 |
| 4 (C) | 146.9 |
| 5 (CH) | 110.3 |
| 6 (CH) | 123.5 |
| α (CH) | 117.9 |
| β (CH) | 144.6 |
| 1' (C) | 109.5 |
| 2' (CH) | 159.7 |
| 3' (CH) | 114.1 |
| 4' (C) | 160.9 |
| 5' (C) | 108.2 |
| 6' (C) | 130.5 |
| β' (C) | 191.9 |
| 2'' (C) | 77.8 |
| 3'' (CH) | 128.1 |
| 4'' (CH) | 115.9 |
| 5'' (CH3) | 28.4 |
| 6'' (CH3) | 28.4 |
| 3a (CH3) | 56.1 |
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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.