Spektraris NMR
Shikonin
Common Name: Shikonin
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C16H16O5/c1-8(2)3-4-10(17)9-7-13(20)14-11(18)5-6-12(19)15(14)16(9)21/h3,5-7,10,17-19H,4H2,1-2H3/t10-/m1/s1
InChIKey: InChIKey=NEZONWMXZKDMKF-SNVBAGLBSA-N
Formula: C16H16O5
Molecular Weight: 288.295851
Exact Mass: 288.099774
NMR Solvent: CDCl3
MHz:
Calibration:
NMR references: 13C - Cho, M.H., Paik, Y.S., Hahn, T.R. J Agric Food Chem (1999) 47, 4117-20
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) | 179.8 |
| 2 (C) | 151.4 |
| 3 (CH) | 131.9 |
| 4 (C) | 180.6 |
| 5 (C) | 164.9 |
| 6 (CH) | 132.4 |
| 7 (CH) | 132.3 |
| 8 (C) | 165.6 |
| 9 (C) | 112 |
| 10 (C) | 111.6 |
| 1' (CH) | 68.4 |
| 2' (CH2) | 35.7 |
| 3' (CH) | 118.5 |
| 4' (C) | 137.4 |
| 5' (CH3) | 25.9 |
| 6' (CH3) | 18.1 |
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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.