For citations & permissions, please see: Citations & Permissions - Wiley Science Solutions*

*Links on SpectraBase are not permalinks.
Shikonin
SpectraBase Compound ID Ew37AXbbpJw
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 NEZONWMXZKDMKF-SNVBAGLBSA-N
Mol Weight 288.3 g/mol
Molecular Formula C16H16O5
Exact Mass 288.099774 g/mol

Transmission Infrared (IR) Spectrum

Transmission Infrared (IR) Spectrum

View the Full Spectrum for FREE!

The full spectrum can only be viewed using a FREE account.

SpectraBase Spectrum ID DY9q1sAKnyc
Name Shikonin
Source of Sample Cayman Chemical Company
Catalog Number 14751
Lot Number 0470247-19
Apodization Function Norton-Beer, medium
CAS Registry Number 517-89-5
Copyright Copyright © 2012-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C16H16O5
IUPAC Name 5,8-Dihydroxy-2-[(1R)-1-hydroxy-4-methyl-3-penten-1-yl]-1,4-naphthalenedione
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 NEZONWMXZKDMKF-SNVBAGLBSA-N
Instrument Name Bio-Rad FTS
Molecular Weight 288.299 g/mol
SMILES Oc1ccc(c2C(\C=C\([C@@](CC=C(C)C)(O)[H])C(c12)=O)=O)O
Source of Spectrum Forensic Spectral Research
Synonyms C.I. 75535; Isoarnebin 4; NSC 252844
Technique KBr0