Shikonin
CAS Registry Number®
517-89-5
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CAS Name
ShikoninMolecular Formula
C16H16O5Molecular Mass
288.30Cite this Page
Shikonin. CAS Common Chemistry. CAS, a division of the American Chemical Society, n.d. http://commonchemistry.cas.org/ChemicalDetail.aspx?ref=517-89-5 (retrieved ) (CAS RN: 517-89-5). Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).Compound Properties
Melting Point (1)
147 °C
Source(s)
Other Names and Identifiers
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
SMILES
O=C1C=2C(C(=O)C=C1[C@@H](CC=C(C)C)O)=C(O)C=CC2O
Canonical SMILES
O=C1C=C(C(=O)C=2C(O)=CC=C(O)C12)C(O)CC=C(C)C
Other Names for this Substance
- 1,4-Naphthalenedione, 5,8-dihydroxy-2-[(1R)-1-hydroxy-4-methyl-3-penten-1-yl]-
- Shikonin
- 1,4-Naphthoquinone, 5,8-dihydroxy-2-(1-hydroxy-4-methyl-3-pentenyl)-, (+)-
- 1,4-Naphthalenedione, 5,8-dihydroxy-2-(1-hydroxy-4-methyl-3-pentenyl)-, (R)-
- 1,4-Naphthalenedione, 5,8-dihydroxy-2-[(1R)-1-hydroxy-4-methyl-3-pentenyl]-
Deleted or Replaced CAS Registry Numbers
874325-10-7, 876010-87-6
