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Versiconal acetate

  • Formula: C20H16O9

  • Molecular weight: 400.30

  • Smiles: CC(=O)OCCC(C=O)C1=C(C=C2C(=C1O)C(=O)C3=C(C2=O)C=C(C=C3O)O)O

  • Type: Anthraquinoid

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Versiconal acetate

Names
Structural Information
Physico-chemical Properties
ADME
Toxicity
Medical Chemistry
Fungi

Names

  • Mycotoxin name: Versiconal acetate

  • First synonym: None

  • Synonyms: Versiconal acetate,52021-61-1,UNII-VXS2A3TS4O,VXS2A3TS4O,BRN 1443172,2-Anthraceneacetaldehyde, 9,10-dihydro-alpha-(2-(acetyloxy)ethyl)-9,10-dioxo-1,3,6,8-tetrahydroxy-,2-ANTHRACENEACETALDEHYDE, .ALPHA.-(2-(ACETYLOXY)ETHYL)-9,10-DIHYDRO-1,3,6,8-TETRAHYDROXY-9,10-DIOXO-, (.ALPHA.S)-,((3S)-4-oxo-3-(1,3,6,8-tetrahydroxy-9,10-dioxoanthracen-2-yl)butyl) acetate,[(3S)-4-oxo-3-(1,3,6,8-tetrahydroxy-9,10-dioxoanthracen-2-yl)butyl] acetate,Versiconal acetic acid,Q27292079,2-ANTHRACENEACETALDEHYDE, ALPHA-(2-(ACETYLOXY)ETHYL)-9,10-DIHYDRO-1,3,6,8-TETRAHYDROXY-9,10-DIOXO-, (ALPHAS)-

Identifiers / External links

Structure

  • Smiles: CC(=O)OCCC(C=O)C1=C(C=C2C(=C1O)C(=O)C3=C(C2=O)C=C(C=C3O)O)O

  • Isomeric smiles: CC(=O)OCC[C@H](C=O)C1=C(C=C2C(=C1O)C(=O)C3=C(C2=O)C=C(C=C3O)O)O

  • Inchi: InChI=1S/C20H16O9/c1-8(22)29-3-2-9(7-21)15-14(25)6-12-17(19(15)27)20(28)16-11(18(12)26)4-10(23)5-13(16)24/h4-7,9,23-25,27H,2-3H2,1H3/t9-/m1/s1

  • Inchikey: YTGNIIJMSNZCOG-SECBINFHSA-N

  • 2D structure:

  • 3D structure:

Physico-chemical properties

  • Formula: C20H16O9

  • Molecular weight: 400.30

  • Monoisotopic mass: 400.07943208

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