Spektraris NMR
O-methyl-Chamone I
Common Name: O-methyl-Chamone I
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C39H52O4/c1-25(2)17-20-30(28(7)8)23-38-24-31(21-18-26(3)4)37(9,10)39(36(38)42,33(40)29-15-13-12-14-16-29)35(43-11)32(34(38)41)22-19-27(5)6/h12-19,30-31H,7,20-24H2,1-6,8-11H3
InChIKey: InChIKey=IGUCQFMYIZWUMB-UHFFFAOYSA-N
Formula: C39H52O4
Molecular Weight: 584.829239
Exact Mass: 584.38656
NMR Solvent: CDCl3
MHz:
Calibration:
NMR references: 13C - Lokvam, J., Braddock, J.F., Reichardt, P.B., Clausen, T.P. Phytochemistry (2000) 55, 29-34
Species:
Notes: Family : Aromatics, Type : Benzophenones; 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) | 74.4 |
| 2 (C) | 169.7 |
| 3 (C) | 123.4 |
| 4 (C) | 197.3 |
| 5 (C) | 63.8 |
| 6 (C) | 207.4 |
| 1' (C) | 137.4 |
| 2' (CH) | 128.5 |
| 3' (CH) | 128.1 |
| 4' (CH) | 132.2 |
| 5' (CH) | 128.1 |
| 6' (CH) | 128.5 |
| 7' (C) | 193.5 |
| 1'' (CH2) | 45.8 |
| 2'' (CH) | 42.3 |
| 3'' (C) | 47.9 |
| 4'' (CH3) | 24.7 |
| 5'' (CH3) | 16.4 |
| 1''' (CH2) | 23.4 |
| 2''' (CH) | 121.8 |
| 3''' (C) | 133.1 |
| 4''' (CH3) | 18.3 |
| 5''' (CH3) | 26 |
| 1'''' (CH2) | 35.1 |
| 2'''' (CH) | 44.3 |
| 3'''' (CH2) | 33.2 |
| 4'''' (CH) | 123.2 |
| 5'''' (C) | 131.7 |
| 6'''' (CH3) | 18.3 |
| 7'''' (CH3) | 26 |
| 8'''' (C) | 148.6 |
| 9'''' (CH2) | 112.4 |
| 10'''' (CH3) | 18.1 |
| 1''''' (CH2) | 27.9 |
| 2''''' (CH) | 122.7 |
| 3''''' (C) | 133.4 |
| 4''''' (CH3) | 18.1 |
| 5''''' (CH3) | 26.1 |
| 2a (CH3) | 61.6 |
