Spektraris NMR
Gemichalcone C
Common Name: Gemichalcone C
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C30H28O9/c1-18(17-39-29(36)14-5-19-4-11-26(34)28(15-19)38-2)3-9-22-25(33)13-10-23(30(22)37)24(32)12-7-20-6-8-21(31)16-27(20)35/h3-8,10-16,31,33-35,37H,9,17H2,1-2H3/b12-7+,14-5+,18-3-
InChIKey: InChIKey=OFKHJNZDWNKYOY-DBLNWHOKSA-N
Formula: C30H28O9
Molecular Weight: 532.539062
Exact Mass: 532.173332
NMR Solvent: CD3COCD3
MHz:
Calibration:
NMR references: 13C - Chung, M.I., Weng, J.R., Lai, M.H., Yen, M.H., Lin, C.N. J Nat Prod (1999) 62, 1033-5
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) | 116.6 |
| 2 (C) | 163.5 |
| 3 (CH) | 104.3 |
| 4 (C) | 163.5 |
| 5 (CH) | 109.9 |
| 6 (CH) | 132.4 |
| α (CH) | 119 |
| β (CH) | 146 |
| 1' (C) | 115.7 |
| 2' (C) | 165.8 |
| 3' (C) | 115 |
| 4' (C) | 163.5 |
| 5' (CH) | 108.6 |
| 6' (CH) | 131 |
| 7' (CH2) | 22.8 |
| 8' (CH) | 129.2 |
| 9' (C) | 131.7 |
| 10' (CH3) | 22.3 |
| 11' (CH2) | 64.2 |
| β' (C) | 193.7 |
| 1'' (C) | 128.2 |
| 2'' (CH) | 112 |
| 3'' (C) | 149.5 |
| 4'' (C) | 150.7 |
| 5'' (CH) | 116.6 |
| 6'' (CH) | 124.6 |
| 7'' (CH) | 146.3 |
| 8'' (CH) | 116.6 |
| 9'' (C) | 168.3 |
| 3''a (CH3) | 57 |
