Spektraris NMR
Irisolone methyl ether
Common Name: Irisolone methyl ether
Synonyms: Irisolone methyl ether
CAS Registry Number:
InChI: InChI=1S/C18H14O6/c1-20-11-5-3-10(4-6-11)12-8-22-13-7-14-17(24-9-23-14)18(21-2)15(13)16(12)19/h3-8H,9H2,1-2H3
InChIKey: InChIKey=LCIXCHCKTZRXMH-UHFFFAOYSA-N
Formula: C18H14O6
Molecular Weight: 326.300846
Exact Mass: 326.079038
NMR Solvent: CDCl3
MHz:
Calibration:
NMR references: 13C - Veitch, N.C., Sutton, P.S., Kite, G.C., Ireland, H.E. J Nat Prod (2003) 66, 210-6
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) | 150.2 |
| 3 (C) | 125.4 |
| 4 (C) | 175.4 |
| 5 (C) | 141.8 |
| 6 (C) | 135.6 |
| 7 (C) | 152.8 |
| 8 (CH) | 93.3 |
| 9 (C) | 154.8 |
| 10 (C) | 114 |
| 1' (C) | 124.2 |
| 2' (CH) | 130.4 |
| 3' (CH) | 113.9 |
| 4' (C) | 159.6 |
| 5' (CH) | 113.9 |
| 6' (CH) | 130.4 |
| 5a (CH3) | 61.3 |
| 6a (CH2) | 102.2 |
| 4'a (CH3) | 55.4 |
