Spektraris NMR
Shikonin acetate
Common Name: Shikonin acetate
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C18H18O6/c1-9(2)4-7-15(24-10(3)19)11-8-14(22)16-12(20)5-6-13(21)17(16)18(11)23/h4-6,8,15,20-21H,7H2,1-3H3/t15-/m1/s1
InChIKey: InChIKey=WNFXUXZJJKTDOZ-OAHLLOKOSA-N
Formula: C18H18O6
Molecular Weight: 330.332609
Exact Mass: 330.110338
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) | 176.7 |
| 2 (C) | 148.2 |
| 3 (CH) | 131.4 |
| 4 (C) | 178.2 |
| 5 (C) | 167 |
| 6 (CH) | 132.7 |
| 7 (CH) | 132.5 |
| 8 (C) | 167.5 |
| 9 (C) | 111.8 |
| 10 (C) | 111.5 |
| 1' (CH) | 69.5 |
| 2' (CH2) | 32.8 |
| 3' (CH) | 117.7 |
| 4' (C) | 136.1 |
| 5' (CH3) | 25.8 |
| 6' (CH3) | 17.9 |
| 1'' (C) | 169.7 |
| 2'' (CH3) | 20.9 |
