Spektraris NMR
Irisone A
Common Name: Irisone A
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C17H12O6/c1-20-11-5-3-2-4-9(11)10-7-21-12-6-13-17(23-8-22-13)16(19)14(12)15(10)18/h2-7,19H,8H2,1H3
InChIKey: InChIKey=DWGZUNVIWVMPBQ-UHFFFAOYSA-N
Formula: C17H12O6
Molecular Weight: 312.274229
Exact Mass: 312.063388
NMR Solvent: CDCl3
MHz:
Calibration:
NMR references: 13C - Wong, S.M., Konno, C., Oshima, Y., Pezzuto, J.M., Fong, H.H.S., Farnsworth, N.R. J Nat Prod (1987) 50, 178-80
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) | 154.4 |
| 3 (C) | 120.2 |
| 4 (C) | 180.8 |
| 5 (C) | 153.7 |
| 6 (C) | 142.4 |
| 7 (C) | 157.3 |
| 8 (CH) | 89.1 |
| 9 (C) | 153.3 |
| 10 (C) | 108.2 |
| 1' (C) | 119.2 |
| 2' (C) | 154.4 |
| 3' (CH) | 111.1 |
| 4' (CH) | 131.6 |
| 5' (CH) | 120.5 |
| 6' (CH) | 130 |
| 1''' (CH3) | 55.6 |
| 6a (CH2) | 102.5 |
