Spektraris NMR
Demethylpraecansone B
Common Name: Demethylpraecansone B
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C21H20O5/c1-21(2)10-9-14-17(26-21)12-18(25-3)19(20(14)24)16(23)11-15(22)13-7-5-4-6-8-13/h4-12,22,24H,1-3H3/b15-11-
InChIKey: InChIKey=LVLWMEHPCPSNOQ-PTNGSMBKSA-N
Formula: C21H20O5
Molecular Weight: 352.381294
Exact Mass: 352.131074
NMR Solvent: CDCl3
MHz:
Calibration:
NMR references: 13C - Tarus, P.K., Machocho, A.K., Lang'at-Thoruwa, C.C., Chhabra, S.C. Phytochemistry (2002) 60, 375-9
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) | 133.5 |
| 2 (CH) | 128.7 |
| 3 (CH) | 128.1 |
| 4 (CH) | 131.6 |
| 5 (CH) | 128.1 |
| 6 (CH) | 128.7 |
| α (CH) | 98.2 |
| β (C) | 175.8 |
| 1' (C) | 103 |
| 2' (C) | 159.9 |
| 3' (C) | 91.8 |
| 4' (C) | 162 |
| 5' (CH) | 104 |
| 6' (C) | 160.5 |
| β' (C) | 194 |
| 2'' (C) | 76.4 |
| 3'' (CH) | 126.6 |
| 4'' (CH) | 116.1 |
| 5'' (CH3) | 28.4 |
| 6'' (CH3) | 28.4 |
| 6'a (CH3) | 55.9 |
