Spektraris NMR
Islandicin 4-methyl ether
Common Name: Islandicin 4-methyl ether
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C16H12O5/c1-7-6-10(18)12-13(16(7)21-2)14(19)8-4-3-5-9(17)11(8)15(12)20/h3-6,17-18H,1-2H3
InChIKey: InChIKey=NNCFIAAUBKRACV-UHFFFAOYSA-N
Formula: C16H12O5
Molecular Weight: 284.264088
Exact Mass: 284.068473
NMR Solvent: CDCl3
MHz:
Calibration:
NMR references: 13C - Lin, L.C., Chou, C.J., Kuo, Y.C. J Nat Prod (2001) 64, 674-6
Species:
Notes: Family : Aromatics, Type : Anthraquinones, Group : Anthraquinones; 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) | 159.6 |
| 2 (CH) | 126.9 |
| 3 (C) | 146.6 |
| 4 (C) | 153.8 |
| 4a (C) | 123.6 |
| 5 (CH) | 120 |
| 6 (CH) | 137.1 |
| 7 (CH) | 123.6 |
| 8 (C) | 162 |
| 8a (C) | 115.5 |
| 9 (C) | 192.3 |
| 9a (C) | 114 |
| 10 (C) | 181.4 |
| 10a (C) | 134.8 |
| 1' (CH3) | 61 |
| 3a (CH3) | 17.2 |
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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.