Spektraris NMR
Methyl insigninone
Common Name: Methyl insigninone
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C36H46O6/c1-23(2)15-18-29-31(39)35(20-19-24(3)4)21-28(17-16-25(5)22-42-26(6)37)34(7,8)36(33(35)40,32(29)41-9)30(38)27-13-11-10-12-14-27/h10-16,19,28H,17-18,20-22H2,1-9H3/b25-16+/t28-,35-,36+/m0/s1
InChIKey: InChIKey=OJUJPTNNGINACA-CZNBEGJRSA-N
Formula: C36H46O6
Molecular Weight: 574.748197
Exact Mass: 574.329439
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) | 73 |
| 2 (C) | 170.7 |
| 3 (C) | 122.1 |
| 4 (C) | 197.8 |
| 5 (C) | 63.3 |
| 6 (C) | 208.9 |
| 1' (C) | 136.8 |
| 2' (CH) | 128.5 |
| 3' (CH) | 127.9 |
| 4' (CH) | 132.1 |
| 5' (CH) | 127.9 |
| 6' (CH) | 128.5 |
| 7' (C) | 193.2 |
| 1'' (CH2) | 41.9 |
| 2'' (CH) | 48.1 |
| 3'' (C) | 49.5 |
| 4'' (CH3) | 23.9 |
| 5'' (CH3) | 27.2 |
| 1''' (CH2) | 23.5 |
| 2''' (CH) | 120.7 |
| 3''' (C) | 134.8 |
| 4''' (CH3) | 26 |
| 5''' (CH3) | 18 |
| 1'''' (CH2) | 30.2 |
| 2'''' (CH) | 119.3 |
| 3'''' (C) | 133.1 |
| 4'''' (CH3) | 18.2 |
| 5'''' (CH3) | 25.7 |
| 1''''' (CH2) | 29.8 |
| 2''''' (CH) | 129.6 |
| 3''''' (C) | 131.1 |
| 4''''' (CH2) | 69.9 |
| 5''''' (CH3) | 14.1 |
| 6''''' (C) | 170.9 |
| 7''''' (CH3) | 21 |
| 2a (CH3) | 61.4 |
