Deoxyshikonin

CAS Registry Number®

43043-74-9
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CAS Name

Deoxyshikonin

Molecular Formula

C16H16O4

Molecular Mass

272.30

Cite this Page

Deoxyshikonin.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=43043-74-9 (retrieved 2024-05-08) (CAS RN: 43043-74-9).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Compound Properties

  • Melting Point (1)

    94-95 °C

Source(s)

Other Names and Identifiers

InChI

InChI=1S/C16H16O4/c1-9(2)4-3-5-10-8-13(19)14-11(17)6-7-12(18)15(14)16(10)20/h4,6-8,17-18H,3,5H2,1-2H3

InChIKey

InChIKey=VOMDIEGPEURZJO-UHFFFAOYSA-N

SMILES

O=C1C=2C(C(=O)C=C1CCC=C(C)C)=C(O)C=CC2O

Canonical SMILES

O=C1C=C(C(=O)C=2C(O)=CC=C(O)C12)CCC=C(C)C

Other Names for this Substance

  • 1,4-Naphthalenedione, 5,8-dihydroxy-2-(4-methyl-3-penten-1-yl)-
  • 1,4-Naphthalenedione, 5,8-dihydroxy-2-(4-methyl-3-pentenyl)-
  • 5,8-Dihydroxy-2-(4-methyl-3-penten-1-yl)-1,4-naphthalenedione
  • Arnebin 7
  • Deoxyshikonin

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