Spektraris NMR
Chamone II
Common Name: Chamone II
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C38H48O4/c1-24(2)16-18-28(26(5)6)22-37-23-29(19-17-25(3)4)36(9,10)38(34(37)41,31(39)27-14-12-11-13-15-27)33-30(32(37)40)20-21-35(7,8)42-33/h11-17,20-21,28-29H,5,18-19,22-23H2,1-4,6-10H3
InChIKey: InChIKey=NCEYXZCRXMSOBB-UHFFFAOYSA-N
Formula: C38H48O4
Molecular Weight: 568.78674
Exact Mass: 568.35526
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) | 72.5 |
| 2 (C) | 166.2 |
| 3 (C) | 113.2 |
| 4 (C) | 192.2 |
| 5 (C) | 64.3 |
| 6 (C) | 206.2 |
| 1' (C) | 137.3 |
| 2' (CH) | 128.7 |
| 3' (CH) | 128.1 |
| 4' (CH) | 132.3 |
| 5' (CH) | 128.1 |
| 6' (CH) | 128.7 |
| 7' (C) | 193.2 |
| 1'' (CH2) | 44.8 |
| 2'' (CH) | 43 |
| 3'' (C) | 48.7 |
| 4'' (CH3) | 16.6 |
| 5'' (CH3) | 24.7 |
| 1''' (C) | 83.5 |
| 2''' (CH) | 123.9 |
| 3''' (CH) | 114.5 |
| 4''' (CH3) | 30.2 |
| 5''' (CH3) | 28.7 |
| 1'''' (CH2) | 34.9 |
| 2'''' (CH) | 44.3 |
| 3'''' (CH2) | 33.3 |
| 4'''' (CH) | 123.2 |
| 5'''' (C) | 131.8 |
| 6'''' (CH3) | 18.2 |
| 7'''' (CH3) | 26.1 |
| 8'''' (C) | 148.6 |
| 9'''' (CH2) | 112.5 |
| 10'''' (CH3) | 18.2 |
| 1''''' (CH2) | 27.9 |
| 2''''' (CH) | 122.5 |
| 3''''' (C) | 133.6 |
| 4''''' (CH3) | 18.3 |
| 5''''' (CH3) | 26.2 |
