Spektraris NMR
Dimethylguttiferate
Common Name: Dimethylguttiferate
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C35H42O9/c1-19(2)13-14-22-28-21(16-17-32(4,5)42-28)26(36)25-27(37)23-11-10-12-24-33(6,7)44-34(31(39)41-9,35(23,24)43-29(22)25)18-15-20(3)30(38)40-8/h11,13,15-17,24,36H,10,12,14,18H2,1-9H3/b20-15-/t24-,34+,35?/m1/s1
InChIKey: InChIKey=KXGMMFYGHSHUAV-OXYVFPSUSA-N
Formula: C35H42O9
Molecular Weight: 606.703912
Exact Mass: 606.282883
NMR Solvent: CDCl3
MHz:
Calibration:
NMR references: 13C - Rajagopal Rao, D., Gurudutt, K.N., Mamatha, S., Mohan Rao, L.J. Magn Reson Chem (2007) 45, 578-82
Species:
Notes: Family : Aromatics, Type : Xanthones; 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) | 157.7 |
| 2 (C) | 102.6 |
| 3 (C) | 159.7 |
| 4 (C) | 107.3 |
| 4a (C) | 156.7 |
| 5 (C) | 93.5 |
| 6 (C) | 171.7 |
| 7 (CH2) | 24.1 |
| 8 (CH) | 138.7 |
| 8a (C) | 131.8 |
| 9 (C) | 185.4 |
| 9a (C) | 101.9 |
| 10a (C) | 91.3 |
| 1' (CH) | 115.2 |
| 2' (CH) | 125.7 |
| 3' (C) | 78 |
| 4' (CH3) | 27.9 |
| 5' (CH3) | 28.2 |
| 1'' (CH2) | 21.5 |
| 2'' (CH) | 121.8 |
| 3'' (C) | 131.1 |
| 4'' (CH3) | 17.7 |
| 5'' (CH3) | 25.4 |
| 1''' (CH2) | 37.6 |
| 2''' (CH) | 134.5 |
| 3''' (C) | 129.6 |
| 4''' (C) | 167.9 |
| 5''' (CH3) | 20.4 |
| 1'''' (CH2) | 21.8 |
| 2'''' (CH) | 51.8 |
| 3'''' (C) | 84.4 |
| 4'''' (CH3) | 30.3 |
| 5'''' (CH3) | 25 |
| 1'''''' (CH3) | 50.5 |
| 4'''a (CH3) | 51.3 |
