Spektraris NMR
Iriskumaonin methyl ether
Common Name: Iriskumaonin methyl ether
Synonyms: Iriskumaonin methyl ether
CAS Registry Number:
InChI: InChI=1S/C19H16O7/c1-21-12-5-4-10(6-13(12)22-2)11-8-24-14-7-15-18(26-9-25-15)19(23-3)16(14)17(11)20/h4-8H,9H2,1-3H3
InChIKey: InChIKey=QXGISKPRHNUTQA-UHFFFAOYSA-N
Formula: C19H16O7
Molecular Weight: 356.326869
Exact Mass: 356.089603
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) | 150.4 |
| 3 (C) | 125.4 |
| 4 (C) | 175.4 |
| 5 (C) | 141.8 |
| 6 (C) | 135.5 |
| 7 (C) | 152.8 |
| 8 (CH) | 93.2 |
| 9 (C) | 154.7 |
| 10 (C) | 113.9 |
| 1' (C) | 124.7 |
| 2' (CH) | 113 |
| 3' (C) | 148.8 |
| 4' (C) | 149.1 |
| 5' (CH) | 111.2 |
| 6' (CH) | 121.4 |
| 5a (CH3) | 61.2 |
| 6a (CH2) | 102.2 |
| 3'a (CH3) | 56.1 |
| 4'a (CH3) | 56 |
