Spektraris NMR
CHEMBL2206208
Common Name: CHEMBL2206208
Synonyms: CHEMBL2206208
CAS Registry Number:
InChI: InChI=1S/C27H30O16/c28-7-14-17(32)20(35)22(37)26(41-14)39-11-3-1-9(2-4-11)24-25(19(34)16-12(31)5-10(30)6-13(16)40-24)43-27-23(38)21(36)18(33)15(8-29)42-27/h1-6,14-15,17-18,20-23,26-33,35-38H,7-8H2/t14-,15-,17-,18-,20+,21+,22-,23-,26-,27+/m1/s1
InChIKey: InChIKey=CRHCCDOCWGWLSH-DEFKTLOSSA-N
Formula: C27H30O16
Molecular Weight: 610.518571
Exact Mass: 610.153385
NMR Solvent: CD3OD
MHz:
Calibration:
NMR references: 13C - Norbaek, R., Kondo, T. Phytochemistry (1999) 51, 1113-9
Species:
Notes: Family : Flavonoids, Type : Flavonoids, Group : Flavonols; 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) | 156 |
| 3 (C) | 134.2 |
| 4 (C) | 177.9 |
| 5 (C) | 161.4 |
| 6 (CH) | 100.3 |
| 7 (C) | 164.5 |
| 8 (CH) | 94 |
| 9 (C) | 156.9 |
| 10 (C) | 104.5 |
| 1' (C) | 124.1 |
| 2' (CH) | 130.9 |
| 3' (CH) | 118.1 |
| 4' (C) | 159.6 |
| 5' (CH) | 118.1 |
| 6' (CH) | 130.9 |
| 1'' (CH) | 101.2 |
| 2'' (CH) | 73.5 |
| 3'' (CH) | 76.6 |
| 4'' (CH) | 69.8 |
| 5'' (CH) | 77.4 |
| 6'' (CH2) | 60.9 |
| 1''' (CH) | 99 |
| 2''' (CH) | 74.4 |
| 3''' (CH) | 76.7 |
| 4''' (CH) | 70.1 |
| 5''' (CH) | 77.8 |
| 6''' (CH2) | 61.1 |
