Spektraris NMR
(R)-(+)-7-(2í,3í-epoxy-3í-methylhutoxy)-coumarin
Common Name: (R)-(+)-7-(2í,3í-epoxy-3í-methylhutoxy)-coumarin
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C14H14O4/c1-14(2)12(18-14)8-16-10-5-3-9-4-6-13(15)17-11(9)7-10/h3-7,12H,8H2,1-2H3
InChIKey: InChIKey=OYJRDMKKJNJGCM-UHFFFAOYSA-N
Formula: C14H14O4
Molecular Weight: 246.259093
Exact Mass: 246.089209
NMR Solvent: CDCl3
MHz:
Calibration:
NMR references: 13C - Gray, A.I. Phytochemistry (1981) 20, 1711-3
Species:
Notes: Family : Chromans, Type : Coumarins, Group : Coumarins; 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) | 160.8 |
| 3 (CH) | 112.7 |
| 4 (CH) | 143.2 |
| 5 (CH) | 128.9 |
| 6 (CH) | 113.1 |
| 7 (C) | 161.7 |
| 8 (CH) | 101.7 |
| 9 (C) | 155.7 |
| 10 (C) | 112.9 |
| 7a (CH2) | 67.8 |
| 7b (CH) | 60.8 |
| 7c (C) | 58.1 |
| 7ca (CH3) | 19 |
| 7cb (CH3) | 24.6 |
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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.