Spektraris NMR
7-O-Methylisolupalbigenin
Common Name: 7-O-Methylisolupalbigenin
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C26H28O5/c1-15(2)6-8-18-12-17(9-11-21(18)27)20-14-31-26-19(10-7-16(3)4)23(30-5)13-22(28)24(26)25(20)29/h6-7,9,11-14,27-28H,8,10H2,1-5H3
InChIKey: InChIKey=XOEJOZMFBLQRCB-UHFFFAOYSA-N
Formula: C26H28O5
Molecular Weight: 420.498499
Exact Mass: 420.193674
NMR Solvent: CDCl3
MHz:
Calibration:
NMR references: 13C - Maximo, P., Lourenco, A., Feio, S.S., Roseiro, J.C. J Nat Prod (2002) 65, 175-8
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) | 152.9 |
| 3 (C) | 123.2 |
| 4 (C) | 181 |
| 5 (C) | 161.2 |
| 6 (CH) | 95.2 |
| 7 (C) | 162.9 |
| 8 (C) | 107 |
| 9 (C) | 154.7 |
| 10 (C) | 107.9 |
| 1' (C) | 123.3 |
| 2' (CH) | 130.6 |
| 3' (C) | 127 |
| 4' (C) | 154.7 |
| 5' (CH) | 116 |
| 6' (CH) | 128.2 |
| 1'' (CH2) | 29.9 |
| 2'' (CH) | 121.6 |
| 3'' (C) | 136 |
| 4'' (CH3) | 17.9 |
| 5'' (CH3) | 25.7 |
| 1''' (CH2) | 21.5 |
| 2''' (CH) | 122 |
| 3''' (C) | 131.9 |
| 4''' (CH3) | 17.9 |
| 5''' (CH3) | 25.7 |
| 7a (CH3) | 56 |
