Spektraris NMR
Milldurone
Common Name: Milldurone
Synonyms: Milldurone
CAS Registry Number:
InChI: InChI=1S/C19H16O7/c1-21-13-6-18-17(25-9-26-18)4-10(13)12-8-24-14-7-16(23-3)15(22-2)5-11(14)19(12)20/h4-8H,9H2,1-3H3
InChIKey: InChIKey=INHRJYBOMHQVBR-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) | 153.8 |
| 3 (C) | 121.8 |
| 4 (C) | 175.4 |
| 5 (CH) | 105.2 |
| 6 (C) | 147.6 |
| 7 (C) | 154.3 |
| 8 (CH) | 99.6 |
| 9 (C) | 152.3 |
| 10 (C) | 118 |
| 1' (C) | 113.2 |
| 2' (C) | 153.1 |
| 3' (CH) | 95.6 |
| 4' (C) | 148.4 |
| 5' (C) | 141.3 |
| 6' (CH) | 111.3 |
| 6a (CH3) | 56.4 |
| 7a (CH3) | 56.4 |
| 2'a (CH3) | 57 |
| 4'a (CH2) | 101.4 |
