Spektraris NMR
Lupalbigenin
Common Name: Lupalbigenin
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C25H26O5/c1-14(2)5-7-17-11-16(8-10-20(17)26)19-13-30-22-12-21(27)18(9-6-15(3)4)24(28)23(22)25(19)29/h5-6,8,10-13,26-28H,7,9H2,1-4H3
InChIKey: InChIKey=HTAZIHDXIUPDQP-UHFFFAOYSA-N
Formula: C25H26O5
Molecular Weight: 406.471882
Exact Mass: 406.178024
NMR Solvent: CD3COCD3
MHz:
Calibration:
NMR references: 13C - Yamamoto, H., Zhao, P., Inoue, K. Phytochemistry (2002) 60, 263-7
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) | 153.9 |
| 3 (C) | 123.1 |
| 4 (C) | 181.7 |
| 5 (C) | 160.6 |
| 6 (C) | 112.4 |
| 7 (C) | 162.6 |
| 8 (CH) | 93.7 |
| 9 (C) | 155.9 |
| 10 (C) | 106 |
| 1' (C) | 123.3 |
| 2' (CH) | 131.2 |
| 3' (C) | 124.2 |
| 4' (C) | 156.8 |
| 5' (CH) | 115.5 |
| 6' (CH) | 128.5 |
| 1'' (CH2) | 29.1 |
| 2'' (CH) | 123.1 |
| 3'' (C) | 132.4 |
| 4'' (CH3) | 25.8 |
| 5'' (CH3) | 17.9 |
| 1''' (CH2) | 22 |
| 2''' (CH) | 123.6 |
| 3''' (C) | 131.6 |
| 4''' (CH3) | 25.9 |
| 5''' (CH3) | 17.8 |
