Spektraris NMR
Lilyn
Common Name: Lilyn
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C27H30O16/c28-7-14-17(33)20(36)21(37)26(40-14)42-24-18(34)15(8-29)41-27(22(24)38)43-25-19(35)16-12(32)5-11(31)6-13(16)39-23(25)9-1-3-10(30)4-2-9/h1-6,14-15,17-18,20-22,24,26-34,36-38H,7-8H2/t14-,15-,17+,18-,20+,21-,22-,24+,26+,27+/m1/s1
InChIKey: InChIKey=OKOZVTRKRQJDAV-LYTFEQDJSA-N
Formula: C27H30O16
Molecular Weight: 610.518571
Exact Mass: 610.153385
NMR Solvent: CD3OD
MHz:
Calibration:
NMR references: 13C - Han, Y., Nishibe, S., Noguchi, Y., Jin, Z. Phytochemistry (2001) 58, 577-80
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) | 158.5 |
| 3 (C) | 134.9 |
| 4 (C) | 179.8 |
| 5 (C) | 163.1 |
| 6 (CH) | 99.9 |
| 7 (C) | 166.1 |
| 8 (CH) | 94.7 |
| 9 (C) | 158.8 |
| 10 (C) | 105.7 |
| 1' (C) | 122.7 |
| 2' (CH) | 132.4 |
| 3' (CH) | 116.3 |
| 4' (C) | 161.5 |
| 5' (CH) | 116.3 |
| 6' (CH) | 132.4 |
| 1'' (CH) | 101.5 |
| 2'' (CH) | 80.2 |
| 3'' (CH) | 74.8 |
| 4'' (CH) | 70 |
| 5'' (CH) | 76.9 |
| 6'' (CH2) | 62.6 |
| 1''' (CH) | 104.7 |
| 2''' (CH) | 75.4 |
| 3''' (CH) | 77.9 |
| 4''' (CH) | 71.3 |
| 5''' (CH) | 78.2 |
| 6''' (CH2) | 61.9 |
