Spektraris NMR
Oorientin
Common Name: Oorientin
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C21H20O11/c22-6-14-17(28)18(29)19(30)21(32-14)16-11(26)4-10(25)15-12(27)5-13(31-20(15)16)7-1-2-8(23)9(24)3-7/h1-5,14,17-19,21-26,28-30H,6H2/t14-,17-,18+,19-,21+/m1/s1
InChIKey: InChIKey=PLAPMLGJVGLZOV-VPRICQMDSA-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) | 164 |
| 3 (CH) | 102.5 |
| 4 (C) | 181.9 |
| 5 (C) | 160 |
| 6 (CH) | 97.9 |
| 7 (C) | 162.2 |
| 8 (C) | 104.4 |
| 9 (C) | 156 |
| 10 (C) | 104 |
| 1' (C) | 122 |
| 2' (CH) | 113.8 |
| 3' (C) | 145.5 |
| 4' (C) | 149.3 |
| 5' (CH) | 115.6 |
| 6' (CH) | 119.4 |
| 1''' (CH) | 73.3 |
| 2''' (CH) | 70.6 |
| 3''' (CH) | 78.4 |
| 4''' (CH) | 70.5 |
| 5''' (CH) | 81.7 |
| 6''' (CH2) | 61.4 |
