Spektraris NMR
Scanderone
Common Name: Scanderone
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C25H24O5/c1-14(2)5-6-16-11-15(7-8-19(16)26)18-13-29-24-17-9-10-25(3,4)30-21(17)12-20(27)22(24)23(18)28/h5,7-13,26-27H,6H2,1-4H3
InChIKey: InChIKey=ICIKOMSKEPJTII-UHFFFAOYSA-N
Formula: C25H24O5
Molecular Weight: 404.456
Exact Mass: 404.162374
NMR Solvent: CDCl3
MHz:
Calibration:
NMR references: 13C - Mahabusarakam, W., Deachathai, S., Phongpaichit, S., Jansakul, C., Taylor, W.C. Phytochemistry (2004) 65, 1185-91
Species:
Notes: Family : Flavonoids, Type : Isoflavonoids, Group : Isoflavones; 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 (CH) | 152.59 |
| 3 (C) | 123.78 |
| 4 (C) | 181.03 |
| 5 (C) | 159.47 |
| 6 (CH) | 94.81 |
| 7 (C) | 156.81 |
| 8 (C) | 105.51 |
| 9 (C) | 157.28 |
| 10 (C) | 122.69 |
| 1' (C) | 106.07 |
| 2' (CH) | 130.4 |
| 3' (C) | 127.42 |
| 4' (C) | 154.65 |
| 5' (CH) | 115.84 |
| 6' (CH) | 128.03 |
| 2'' (C) | 78 |
| 3'' (CH) | 128.1 |
| 4'' (CH) | 115.44 |
| 5'' (CH3) | 28.25 |
| 6'' (CH3) | 28.25 |
| 1''' (CH2) | 29.45 |
| 2''' (CH) | 121.69 |
| 3''' (C) | 134.45 |
| 4''' (CH3) | 25.72 |
| 5''' (CH3) | 17.83 |
