Spektraris NMR
Fremontin
Common Name: Fremontin
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C20H18O6/c1-4-20(2,3)13-8-15(23)14(22)7-11(13)12-9-26-17-6-10(21)5-16(24)18(17)19(12)25/h4-9,21-24H,1H2,2-3H3
InChIKey: InChIKey=WENUFADKXXMDRZ-UHFFFAOYSA-N
Formula: C20H18O6
Molecular Weight: 354.354081
Exact Mass: 354.110338
NMR Solvent: CD3COCD3
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) | 155 |
| 3 (C) | 126.8 |
| 4 (C) | 183 |
| 5 (C) | 163.7 |
| 6 (CH) | 99.7 |
| 7 (C) | 165.1 |
| 8 (CH) | 94.4 |
| 9 (C) | 159.1 |
| 10 (C) | 105.9 |
| 1' (C) | 122.2 |
| 2' (C) | 140.2 |
| 3' (CH) | 115.4 |
| 4' (C) | 145.7 |
| 5' (C) | 143.5 |
| 6' (CH) | 121.1 |
| 1'' (C) | 42.2 |
| 2'' (CH) | 150 |
| 3'' (CH2) | 109.4 |
| 4'' (CH3) | 29.4 |
| 5'' (CH3) | 30 |
Copyright © 2025
The Spektraris NMR database is developed and hosted by the Lange laboratory at WSU. CAS Registry Number is a Registered Trademark of the American Chemical Society.