Spektraris NMR
Dorstegin
Common Name: Dorstegin
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C16H12O4/c1-16(2)7-5-10-9-3-4-12(17)19-13(9)11-6-8-18-14(11)15(10)20-16/h3-8H,1-2H3
InChIKey: InChIKey=ZPHRMAVWOHUQAA-UHFFFAOYSA-N
Formula: C16H12O4
Molecular Weight: 268.264683
Exact Mass: 268.073559
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 : Pyranocoumarins; 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) | 160.9 |
| 3 (CH) | 114.3 |
| 4 (CH) | 139.9 |
| 5 (C) | 112.7 |
| 6 (C) | 135.7 |
| 7 (C) | 146.1 |
| 8 (C) | 118.2 |
| 2' (CH) | 146.2 |
| 3' (CH) | 104.8 |
| 4' (CH) | 117.1 |
| 5' (CH) | 131.3 |
| 6' (C) | 77.1 |
| 4a (C) | 109.7 |
| 8a (C) | 142.8 |
| 6'a (CH3) | 27.4 |
| 6'b (CH3) | 27.4 |
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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.