Spektraris NMR
isoorientin
Common Name: isoorientin
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C21H20O11/c22-6-14-17(27)19(29)20(30)21(32-14)16-11(26)5-13-15(18(16)28)10(25)4-12(31-13)7-1-2-8(23)9(24)3-7/h1-5,14,17,19-24,26-30H,6H2/t14-,17-,19+,20-,21+/m1/s1
InChIKey: InChIKey=ODBRNZZJSYPIDI-VJXVFPJBSA-N
Formula: C21H20O11
Molecular Weight: 448.377723
Exact Mass: 448.100561
NMR Solvent: DMSO-d6
MHz:
Calibration:
NMR references: 13C - Moreira, D.D., Guimaraes, E.F., Kaplan, M.A. Phytochemistry (2000) 55, 783-6
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) | 163.6 |
| 3 (CH) | 102.8 |
| 4 (C) | 181.8 |
| 5 (C) | 160.2 |
| 6 (C) | 108.5 |
| 7 (C) | 163 |
| 8 (CH) | 93.6 |
| 9 (C) | 156.2 |
| 10 (C) | 103.3 |
| 1' (C) | 121.4 |
| 2' (CH) | 113.1 |
| 3' (C) | 145.4 |
| 4' (C) | 149.4 |
| 5' (CH) | 116 |
| 6' (CH) | 119 |
| 1'' (CH) | 72.9 |
| 2'' (CH) | 70.3 |
| 3'' (CH) | 78.6 |
| 4'' (CH) | 70 |
| 5'' (CH) | 81.3 |
| 6'' (CH2) | 61.2 |
