Spektraris NMR
Guttiferic acid
Common Name: Guttiferic acid
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C33H38O9/c1-17(2)11-12-20-26-19(14-15-30(4,5)40-26)24(34)23-25(35)21-9-8-10-22-31(6,7)42-32(29(38)39,16-13-18(3)28(36)37)33(21,22)41-27(20)23/h9,11,13-15,22,34H,8,10,12,16H2,1-7H3,(H,36,37)(H,38,39)/b18-13-/t22?,32-,33+/m0/s1
InChIKey: InChIKey=XFFFENIYEHLEOK-PSRNKBDUSA-N
Formula: C33H38O9
Molecular Weight: 578.650678
Exact Mass: 578.251583
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) | 156.8 |
| 2 (C) | 102.5 |
| 3 (C) | 160.9 |
| 4 (C) | 107 |
| 4a (C) | 158.1 |
| 5 (C) | 93.5 |
| 6 (C) | 172.2 |
| 7 (CH2) | 24.8 |
| 8 (CH) | 138.5 |
| 8a (C) | 131.9 |
| 9 (C) | 186.2 |
| 9a (C) | 102 |
| 10a (C) | 90.1 |
| 1' (CH) | 115.4 |
| 2' (CH) | 125.2 |
| 3' (C) | 78.3 |
| 4' (CH3) | 28.1 |
| 5' (CH3) | 28.2 |
| 1'' (CH2) | 21.3 |
| 2'' (CH) | 121.5 |
| 3'' (C) | 131.6 |
| 4'' (CH3) | 17.7 |
| 5'' (CH3) | 25.4 |
| 1''' (CH2) | 35.7 |
| 2''' (CH) | 134 |
| 3''' (C) | 131.3 |
| 4''' (C) | 173.2 |
| 5''' (CH3) | 20.2 |
| 1'''' (CH2) | 22.3 |
| 2'''' (CH) | 51.2 |
| 3'''' (C) | 84.6 |
| 4'''' (CH3) | 31.4 |
| 5'''' (CH3) | 24.9 |
