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Shikonin

CAS Registry Number®

517-89-5

CAS Name

Shikonin

Molecular Formula

C16H16O5

Molecular Mass

288.30

Cite this Page

Shikonin.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=517-89-5 (retrieved 2024-12-25) (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]-

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Deleted or Replaced CAS Registry Numbers

874325-10-7, 876010-87-6

CAS INSIGHTSTM
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