Spektraris NMR
Angustone B
Common Name: Angustone B
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C25H24O6/c1-13(2)5-6-15-18(26)11-20-21(23(15)28)24(29)17(12-30-20)14-7-8-19-16(22(14)27)9-10-25(3,4)31-19/h5,7-12,26-28H,6H2,1-4H3
InChIKey: InChIKey=QQUXNFZAFOMGTQ-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) | 155.6 |
| 3 (C) | 120.6 |
| 4 (C) | 180.8 |
| 5 (C) | 158.8 |
| 6 (C) | 111.3 |
| 7 (C) | 162.1 |
| 8 (CH) | 93.1 |
| 9 (C) | 155.5 |
| 10 (C) | 104.6 |
| 1' (C) | 111.6 |
| 2' (C) | 151.4 |
| 3' (C) | 111 |
| 4' (C) | 153.8 |
| 5' (CH) | 107.6 |
| 6' (CH) | 131.5 |
| 6a (CH2) | 21.2 |
| 6b (CH) | 122.4 |
| 6c (C) | 130.8 |
| 6d (CH3) | 25.6 |
| 6e (CH3) | 17.8 |
| 3'a (CH) | 117.1 |
| 3'b (CH) | 129 |
| 3'c (C) | 75.5 |
| 3'd (CH3) | 27.6 |
| 3'e (CH3) | 27.6 |
