Spektraris NMR
Dimethyl hilarianone
Common Name: Dimethyl hilarianone
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C35H46O4/c1-23(2)15-16-28-31(37)29(30(36)26-13-11-10-12-14-26)33(39-9)35(32(28)38-8,20-17-24(3)4)22-27-18-19-34(6,7)21-25(27)5/h10-15,17H,16,18-22H2,1-9H3
InChIKey: InChIKey=KYDFAVCXIXWBLL-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) | 117.4 |
| 2 (C) | 169.9 |
| 3 (C) | 53.9 |
| 4 (C) | 187.8 |
| 5 (C) | 121.5 |
| 6 (C) | 187.8 |
| 1' (C) | 138.6 |
| 2' (CH) | 129.3 |
| 3' (CH) | 128.6 |
| 4' (CH) | 132.9 |
| 5' (CH) | 128.6 |
| 6' (CH) | 129.3 |
| 7' (C) | 196.5 |
| 1'' (CH2) | 41.1 |
| 2'' (C) | 129.2 |
| 3'' (C) | 124.7 |
| 4'' (CH2) | 28.4 |
| 5'' (C) | 36.2 |
| 6'' (CH2) | 28.9 |
| 7'' (CH2) | 46.7 |
| 8'' (CH3) | 28 |
| 9'' (CH3) | 28.5 |
| 10'' (CH3) | 19.8 |
| 1''' (CH2) | 37.3 |
| 2''' (CH) | 118.9 |
| 3''' (C) | 134.6 |
| 4''' (CH3) | 26 |
| 5''' (CH3) | 17.9 |
| 1'''' (CH2) | 22.9 |
| 2'''' (CH) | 122.6 |
| 3'''' (C) | 131.3 |
| 4'''' (CH3) | 18 |
| 5'''' (CH3) | 25.7 |
| 2a (CH3) | 59.2 |
| 4a (CH3) | 61.4 |
