Spektraris NMR
Charminarone
Common Name: Charminarone
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C15H16O5/c1-8(16)4-5-10-9(2)14(19)20-13(10)15(3)11(17)6-7-12(15)18/h6-7,13H,4-5H2,1-3H3/t13-/m1/s1
InChIKey: InChIKey=DIYPTDBVYZKTMN-CYBMUJFWSA-N
Formula: C15H16O5
Molecular Weight: 276.285115
Exact Mass: 276.099774
NMR Solvent: CDCl3
MHz:
Calibration:
NMR references: 13C - Venkataiah, B., Ramesh, C., Ravindranath, N., Das, B. Phytochemistry (2003) 63, 383-6
Species:
Notes: Family : Terpenoids, Type : Sesquiterpenoids, Group : Ambrosanes; 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 |
|---|---|
| 1 (C) | 212.6 |
| 2 (CH) | 35.7 |
| 3 (CH) | 35.2 |
| 4 (C) | 212.8 |
| 5 (C) | 57.4 |
| 6 (CH) | 80.6 |
| 7 (C) | 159.2 |
| 8 (CH2) | 30.7 |
| 9 (CH2) | 34.9 |
| 10 (C) | 205.8 |
| 11 (C) | 126.8 |
| 12 (C) | 172.2 |
| 13 (CH3) | 21.8 |
| 14 (CH3) | 26.8 |
| 15 (CH3) | 16.4 |
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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.