Spektraris NMR
Cycloshikonin
Common Name: Cycloshikonin
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C16H16O5/c1-16(2)6-5-12(21-16)8-7-11(19)13-9(17)3-4-10(18)14(13)15(8)20/h3-4,7,12,17-18H,5-6H2,1-2H3/t12-/m1/s1
InChIKey: InChIKey=ALRXDRQNAJOPCP-GFCCVEGCSA-N
Formula: C16H16O5
Molecular Weight: 288.295851
Exact Mass: 288.099774
NMR Solvent: CDCl3
MHz:
Calibration:
NMR references: 13C - Inoue, K., Akaji, M., Inouye, H. Chem Pharm Bull (1985) 33, 3993-7
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) | 181.27 |
| 2 (C) | 152.93 |
| 3 (CH) | 131.74 |
| 4 (C) | 182.19 |
| 5 (C) | 164.05 |
| 6 (CH) | 131.33 |
| 7 (CH) | 131.23 |
| 8 (C) | 163.54 |
| 9 (C) | 112.11 |
| 10 (C) | 111.65 |
| 1' (CH) | 74.39 |
| 2' (CH2) | 33.47 |
| 3' (CH2) | 38.48 |
| 4' (C) | 82.1 |
| 5' (CH3) | 27.83 |
| 6' (CH3) | 28.68 |
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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.