Spektraris NMR
Kaplanin
Common Name: Kaplanin
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C22H22O8/c1-28-16-8-13(25)19-12(24)7-15(11-5-3-2-4-6-11)30-22(19)20(16)17-9-14(26)21(27)18(10-23)29-17/h2-8,14,17-18,21,23,25-27H,9-10H2,1H3/t14-,17+,18+,21-/m0/s1
InChIKey: InChIKey=AZUBEIMHPGOKIU-JPCHKZQCSA-N
Formula: C22H22O8
Molecular Weight: 414.406126
Exact Mass: 414.131468
NMR Solvent: CD3COCD3
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) | 165 |
| 3 (CH) | 105.5 |
| 4 (C) | 183.6 |
| 5 (C) | 163.2 |
| 6 (CH) | 95.9 |
| 7 (C) | 165.2 |
| 8 (C) | 105.9 |
| 9 (C) | 156.8 |
| 10 (C) | 106.5 |
| 1' (C) | 132.3 |
| 2' (CH) | 127.9 |
| 3' (CH) | 129.9 |
| 4' (CH) | 132.8 |
| 5' (CH) | 129.9 |
| 6' (CH) | 127.9 |
| 1'' (CH) | 72 |
| 2'' (CH2) | 74.5 |
| 3'' (CH) | 80.3 |
| 4'' (CH) | 72.5 |
| 5'' (CH) | 82.5 |
| 6'' (CH2) | 62.9 |
| 7a (CH3) | 56.9 |
