Spektraris NMR
Angustone c
Common Name: Angustone c
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C25H24O6/c1-13(2)5-6-15-18(26)8-7-14(22(15)27)17-12-30-20-11-19-16(9-10-25(3,4)31-19)23(28)21(20)24(17)29/h5,7-12,26-28H,6H2,1-4H3
InChIKey: InChIKey=BUYJDESZDWGXRM-UHFFFAOYSA-N
Formula: C25H24O6
Molecular Weight: 420.455405
Exact Mass: 420.157289
NMR Solvent: DMSO-d6
MHz:
Calibration:
NMR references: 13C - Lane, G.A., Newman, R.H. Phytochemistry (1987) 26, 295-300
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) | 156 |
| 3 (C) | 121.5 |
| 4 (C) | 181.5 |
| 5 (C) | 156.1 |
| 6 (C) | 104.9 |
| 7 (C) | 158.9 |
| 8 (CH) | 94.8 |
| 9 (C) | 157 |
| 10 (C) | 109.8 |
| 1' (C) | 109.5 |
| 2' (C) | 154.2 |
| 3' (C) | 115.7 |
| 4' (C) | 156.7 |
| 5' (CH) | 107 |
| 6' (CH) | 128.9 |
| 6a (CH) | 114.8 |
| 6b (CH) | 129.1 |
| 6c (C) | 78.1 |
| 6d (CH3) | 27.9 |
| 6e (CH3) | 27.9 |
| 3'a (CH2) | 22.6 |
| 3'b (CH) | 123.7 |
| 3'c (C) | 129.7 |
| 3'd (CH3) | 25.7 |
| 3'e (CH3) | 17.9 |
