Spektraris NMR
trimethyl fremontin
Common Name: trimethyl fremontin
Synonyms: trimethyl fremontin
CAS Registry Number:
InChI: InChI=1S/C23H24O6/c1-7-23(2,3)16-11-19(28-6)18(27-5)10-14(16)15-12-29-20-9-13(26-4)8-17(24)21(20)22(15)25/h7-12,24H,1H2,2-6H3
InChIKey: InChIKey=JVBWQMXKHDHBIZ-UHFFFAOYSA-N
Formula: C23H24O6
Molecular Weight: 396.433933
Exact Mass: 396.157289
NMR Solvent: CDCl3
MHz:
Calibration:
NMR references: 13C - Salem, M.M., Werbovetz, K.A. J Nat Prod (2006) 69, 43-9
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) | 153.6 |
| 3 (C) | 126.1 |
| 4 (C) | 182.1 |
| 5 (C) | 162.6 |
| 6 (CH) | 98.1 |
| 7 (C) | 165.5 |
| 8 (CH) | 92.4 |
| 9 (C) | 158 |
| 10 (C) | 106 |
| 1' (C) | 121.6 |
| 2' (C) | 140.3 |
| 3' (CH) | 111.2 |
| 4' (C) | 148.7 |
| 5' (C) | 146.9 |
| 6' (CH) | 115.7 |
| 1'' (C) | 42 |
| 2'' (CH) | 148.5 |
| 3'' (CH2) | 109.8 |
| 4'' (CH3) | 28.9 |
| 5'' (CH3) | 29.7 |
| 7a (CH3) | 55.78 |
| 4'a (CH3) | 55.84 |
| 5'a (CH3) | 55.94 |
