Spektraris NMR
Desoxyalkannin, Deoxyshikonin
Common Name: Desoxyalkannin, Deoxyshikonin
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C16H16O4/c1-9(2)4-3-5-10-8-13(19)14-11(17)6-7-12(18)15(14)16(10)20/h4,6-8,17-18H,3,5H2,1-2H3
InChIKey: InChIKey=VOMDIEGPEURZJO-UHFFFAOYSA-N
Formula: C16H16O4
Molecular Weight: 272.296446
Exact Mass: 272.104859
NMR Solvent: CDCl3
MHz:
Calibration:
NMR references: 13C - Papageorgiou, V.P. Planta Med (1980) 40, 305-7
Species:
Notes: Family : Aromatics, Type : Naphthalenes, Group : Naphthazarins; 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) | 183.1 |
| 2 (C) | 151.5 |
| 3 (CH) | 134.4 |
| 4 (C) | 183.1 |
| 5 (C) | 163 |
| 6 (CH) | 131.2 |
| 7 (CH) | 131 |
| 8 (C) | 163.3 |
| 9 (C) | 111.8 |
| 10 (C) | 111.6 |
| 1' (CH2) | 26.7 |
| 2' (CH2) | 29.7 |
| 3' (CH) | 122.5 |
| 4' (C) | 133.7 |
| 5' (CH3) | 25.8 |
| 6' (CH3) | 17.9 |
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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.