Spektraris NMR
Dicliripariside B
Common Name: Dicliripariside B
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C31H36O16/c1-12-27(44-13(2)32)23(36)25(38)30(43-12)42-11-20-21(34)22(35)24(37)31(47-20)46-19-9-16-17(33)10-18(14-5-7-15(40-3)8-6-14)45-28(16)26(39)29(19)41-4/h5-10,12,20-25,27,30-31,34-39H,11H2,1-4H3/t12-,20+,21+,22-,23-,24+,25+,27-,30+,31+/m0/s1
InChIKey: InChIKey=ISVJQJMGKFYXBW-OQZZIDIHSA-N
Formula: C31H36O16
Molecular Weight: 664.609159
Exact Mass: 664.200335
NMR Solvent: C5D5N
MHz:
Calibration:
NMR references: 13C - Luo Y., Feng C., Tian Y., Zhang G. Phytochemistry (2002) 61, 449-54
Species:
Notes: Family : Flavonoids, Type : Flavonoids, Group : Flavones; 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 |
|---|---|
| 2 (C) | 164.7 |
| 3 (CH) | 104.3 |
| 4 (C) | 183.1 |
| 5 (CH) | 95.1 |
| 6 (C) | 157.6 |
| 7 (C) | 134 |
| 8 (C) | 153.1 |
| 9 (C) | 154 |
| 10 (C) | 107.1 |
| 1' (C) | 122.9 |
| 2' (CH) | 128.7 |
| 3' (CH) | 115.1 |
| 4' (C) | 163 |
| 5' (CH) | 115.1 |
| 6' (CH) | 128.7 |
| 1'' (CH) | 102.4 |
| 2'' (CH) | 74.6 |
| 3'' (CH) | 71 |
| 4'' (CH) | 78.3 |
| 5'' (CH) | 77.5 |
| 6'' (CH2) | 67.3 |
| 1''' (CH) | 102 |
| 2''' (CH) | 71.9 |
| 3''' (CH) | 70.2 |
| 4''' (CH) | 75.6 |
| 5''' (CH) | 67 |
| 6''' (CH3) | 17.8 |
| 7a (CH3) | 60.8 |
| 4'a (CH3) | 55.4 |
| 4'''a (C) | 170.6 |
| 4'''b (CH3) | 20.9 |
