Spektraris NMR
Angustone A
Common Name: Angustone A
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C25H26O6/c1-13(2)5-7-16-19(26)10-9-15(23(16)28)18-12-31-21-11-20(27)17(8-6-14(3)4)24(29)22(21)25(18)30/h5-6,9-12,26-29H,7-8H2,1-4H3
InChIKey: InChIKey=KKFAKKIIFUFASS-UHFFFAOYSA-N
Formula: C25H26O6
Molecular Weight: 422.471287
Exact Mass: 422.172939
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) | 155.6 |
| 3 (C) | 121.2 |
| 4 (C) | 181.2 |
| 5 (C) | 158.8 |
| 6 (C) | 111.3 |
| 7 (C) | 162.2 |
| 8 (CH) | 93.1 |
| 9 (C) | 155.7 |
| 10 (C) | 104.6 |
| 1' (C) | 110 |
| 2' (C) | 154.2 |
| 3' (C) | 115.7 |
| 4' (C) | 156.6 |
| 5' (CH) | 106.9 |
| 6' (CH) | 128.8 |
| 6a (CH2) | 21.2 |
| 6b (CH) | 122.4 |
| 6c (C) | 130.8 |
| 6d (CH3) | 25.6 |
| 6e (CH3) | 17.8 |
| 3'a (CH2) | 22.6 |
| 3'b (CH) | 123.7 |
| 3'c (C) | 129.7 |
| 3'd (CH3) | 25.6 |
| 3'e (CH3) | 17.8 |
