Spektraris NMR
Methylpreglabridin
Common Name: Methylpreglabridin
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C21H24O4/c1-13(2)4-7-18-19(22)9-5-14-10-15(12-25-21(14)18)17-8-6-16(24-3)11-20(17)23/h4-6,8-9,11,15,22-23H,7,10,12H2,1-3H3/t15-/m1/s1
InChIKey: InChIKey=CFIGHBKJMKQTBW-OAHLLOKOSA-N
Formula: C21H24O4
Molecular Weight: 340.413652
Exact Mass: 340.167459
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) | 31.8 |
| 4 (CH2) | 31 |
| 5 (CH) | 128 |
| 6 (CH) | 102.1 |
| 7 (C) | 159.1 |
| 8 (C) | 114.3 |
| 9 (C) | 154.1 |
| 10 (C) | 114.3 |
| 1' (C) | 120 |
| 2' (C) | 152.2 |
| 3' (CH) | 106 |
| 4' (C) | 153.5 |
| 5' (CH) | 108.1 |
| 6' (CH) | 127.5 |
| 8a (CH2) | 22.5 |
| 8b (CH) | 122.1 |
| 8c (C) | 134.2 |
| 8d (CH3) | 18 |
| 8e (CH3) | 25.2 |
| 4'a (CH3) | 55.5 |
