Spektraris NMR
Dimethoxychalepensin
Common Name: Dimethoxychalepensin
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C18H18O5/c1-6-18(2,3)12-9-11-13(20-4)10-7-8-22-14(10)16(21-5)15(11)23-17(12)19/h6-9H,1H2,2-5H3
InChIKey: InChIKey=KHRPPPVMZUBIOV-UHFFFAOYSA-N
Formula: C18H18O5
Molecular Weight: 314.333204
Exact Mass: 314.115424
NMR Solvent: CDCl3
MHz:
Calibration:
NMR references: 13C - Franke K., Porzel A., Masaoud M., Adam G., Schmidt J. Phytochemistry (2001) 56, 611-21
Species:
Notes: Family : Chromans, Type : Coumarins, Group : Furocoumarins; 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 (C) | 159.2 |
| 3 (C) | 131.5 |
| 4 (CH) | 133.2 |
| 5 (C) | 143.9 |
| 6 (C) | 114.5 |
| 7 (C) | 149.2 |
| 8 (C) | 127.6 |
| 2' (CH) | 144.9 |
| 3' (CH) | 105 |
| 3a (C) | 40.6 |
| 3b (CH) | 145.5 |
| 3c (CH2) | 112.1 |
| 3aa (CH3) | 26.2 |
| 3ba (CH3) | 26.2 |
| 4a (C) | 107.9 |
| 5a (CH3) | 60.7 |
| 8a (C) | 143 |
| 8b (CH3) | 61.6 |
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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.