Spektraris NMR
Dimethyl weddellianone A
Common Name: Dimethyl weddellianone A
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C35H46O4/c1-23(2)16-18-28(26(7)8)22-35(21-20-25(5)6)33(38-9)29(19-17-24(3)4)32(37)30(34(35)39-10)31(36)27-14-12-11-13-15-27/h11-17,20,28H,7,18-19,21-22H2,1-6,8-10H3
InChIKey: InChIKey=DCISINZRIVKTAR-UHFFFAOYSA-N
Formula: C35H46O4
Molecular Weight: 530.738651
Exact Mass: 530.33961
NMR Solvent: CDCl3
MHz:
Calibration:
NMR references: 13C - Porto, A.L., Machado, S.M., de Oliveira, C.M., Bittrich, V., Amaral, M.C., Marsaioli, A.J. Phytochemistry (2000) 55, 755-68
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) | 122.7 |
| 2 (C) | 169.9 |
| 3 (C) | 53.3 |
| 4 (C) | 170.1 |
| 5 (C) | 122.7 |
| 6 (C) | 188.4 |
| 1' (C) | 138.9 |
| 2' (CH) | 129.4 |
| 3' (CH) | 128.7 |
| 4' (CH) | 133.1 |
| 5' (CH) | 128.7 |
| 6' (CH) | 129.4 |
| 7' (C) | 196.9 |
| 1'' (CH2) | 39.9 |
| 2'' (CH) | 44.2 |
| 3'' (CH2) | 33.5 |
| 4'' (CH) | 122.9 |
| 5'' (C) | 132.2 |
| 6'' (CH3) | 25.6 |
| 7'' (CH3) | 17.8 |
| 8'' (C) | 146.8 |
| 9'' (CH2) | 112.6 |
| 10'' (CH3) | 18.3 |
| 1''' (CH2) | 37.6 |
| 2''' (CH) | 118.8 |
| 3''' (C) | 135 |
| 4''' (CH3) | 25.9 |
| 5''' (CH3) | 17.7 |
| 1'''' (CH2) | 22.6 |
| 2'''' (CH) | 122.8 |
| 3'''' (C) | 131.9 |
| 4'''' (CH3) | 17.7 |
| 5'''' (CH3) | 25.3 |
| 2a (CH3) | 58.8 |
| 4a (CH3) | 61.6 |
