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Substance Name: Acetylshikonin
RN: 54984-93-9
InChIKey: WNFXUXZJJKTDOZ-UHFFFAOYSA-N

Note

  • From roots of Boraginacea.

Molecular Formula

  • C18-H18-O6

Molecular Weight

  • 330.334
 
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Names and Synonyms

Name of Substance

  • Acetylshikonin

Synonym

  • NSC 291844

Systematic Name

  • 1,4-Naphthalenedione, 2-(1-(acetyloxy)-4-methyl-3-pentenyl)-5,8-dihydroxy-

Registry Numbers

CAS Registry Number

  • 54984-93-9

Other Registry Number

  • 106295-33-4

System Generated Number

  • 0054984939

Structure Descriptors

InChI

1S/C18H18O6/c1-9(2)4-7-15(24-10(3)19)11-8-14(22)16-12(20)5-6-13(21)17(16)18(11)23/h4-6,8,15,20-21H,7H2,1-3H3

InChIKey

WNFXUXZJJKTDOZ-UHFFFAOYSA-N

Smiles

C=1(C(c2c(ccc(c2C(C1)=O)O)O)=O)[C@@H](OC(=O)C)C\C=C(/C)C