Spektraris NMR
Scandenal
Common Name: Scandenal
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C21H16O6/c1-21(2)6-5-13-16(27-21)8-17-18(19(13)24)20(25)14(10-26-17)11-3-4-15(23)12(7-11)9-22/h3-10,23-24H,1-2H3
InChIKey: InChIKey=IPYCUHYELBKADC-UHFFFAOYSA-N
Formula: C21H16O6
Molecular Weight: 364.348935
Exact Mass: 364.094688
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 : Isoflavanones; 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) | 152.89 |
| 3 (C) | 122.49 |
| 4 (C) | 180.71 |
| 5 (C) | 157.08 |
| 6 (C) | 106.21 |
| 7 (C) | 160.06 |
| 8 (CH) | 95.26 |
| 9 (C) | 157.51 |
| 10 (C) | 122.89 |
| 1' (C) | 106.04 |
| 2' (CH) | 134.47 |
| 3' (C) | 120.82 |
| 4' (C) | 161.9 |
| 5' (CH) | 118.31 |
| 6' (CH) | 137.45 |
| 2'' (C) | 78.45 |
| 3'' (CH) | 128.6 |
| 4'' (CH) | 115.59 |
| 5'' (CH3) | 28.59 |
| 6'' (CH3) | 28.59 |
| 3'a (CH) | 196.71 |
