Spektraris NMR
(-)-4-O-Methylglabridin
Common Name: (-)-4-O-Methylglabridin
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C21H20O5/c1-21(2)9-8-14-18(26-21)7-6-15-19(23)16(11-25-20(14)15)13-5-4-12(24-3)10-17(13)22/h4-10,16,22H,11H2,1-3H3/t16-/m1/s1
InChIKey: InChIKey=LOENFUAFIZVSTM-MRXNPFEDSA-N
Formula: C21H20O5
Molecular Weight: 352.381294
Exact Mass: 352.131074
NMR Solvent: CDCl3
MHz:
Calibration:
NMR references: 13C - Castro, O., Lopez, J., Vergara, A., Stermitz, F.R., Gardner, D.R. J Nat Prod (1986) 49, 680-3
Species:
Notes: Family : Flavonoids, Type : Isoflavonoids, Group : Isoflavanones; 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 (CH2) | 70 |
| 3 (CH) | 31.7 |
| 4 (C) | 30.6 |
| 5 (CH) | 129.1 |
| 6 (CH) | 102.7 |
| 7 (C) | 150.3 |
| 8 (C) | 109.9 |
| 9 (C) | 154.2 |
| 10 (C) | 114.4 |
| 1' (C) | 119.9 |
| 2' (C) | 149.6 |
| 3' (CH) | 105.6 |
| 4' (C) | 151.6 |
| 5' (CH) | 108.6 |
| 6' (CH) | 128.8 |
| 2'' (C) | 75.7 |
| 3'' (CH) | 128 |
| 4'' (CH) | 116.9 |
| 5'' (CH3) | 27.6 |
| 6'' (CH3) | 27.8 |
| 4'a (CH3) | 55.4 |
