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Xanthoascin

  • Formula: C23H20N2O2

  • Molecular weight: 356.40

  • Smiles: CC1(CCC2=C(O1)C=CC(=C2)C=C(C(=CC3=CC=C(C=C3)O)[N+]#[C-])[N+]#[C-])C

  • Type: Diisocyanide

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Xanthoascin

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

Names

  • Mycotoxin name: Xanthoascin

  • First synonym: None

  • Synonyms: Xanthoascin,61391-08-0,UNII-J2251719T3,J2251719T3,4-[(1Z,3Z)-4-(2,2-dimethyl-3,4-dihydrochromen-6-yl)-2,3-diisocyanobuta-1,3-dienyl]phenol,Phenol, 4-(4-(3,4-dihydro-2,2-dimethyl-2H-1-benzopyran-6-yl)-2,3-diisocyano-1,3-butadienyl)-,PHENOL, 4-(4-(3,4-DIHYDRO-2,2-DIMETHYL-2H-1-BENZOPYRAN-6-YL)-2,3-DIISOCYANO-1,3-BUTADIEN-1-YL)-,PHENOL, 4-(4-(3,4-DIHYDRO-2,2-DIMETHYL-2H-1-BENZOPYREAN-6-YL)-2,3-DIISOCYANO-1,3-BUTADIEN-1-YL)-, E,E-,Q27281038,1-(4-hydroxyphenyl)-4-(2,2-dimethyl-6-chromanyl)-2,3-diisocyano-1,3-butadiene

Identifiers / External links

Structure

  • Smiles: CC1(CCC2=C(O1)C=CC(=C2)C=C(C(=CC3=CC=C(C=C3)O)[N+]#[C-])[N+]#[C-])C

  • Isomeric smiles: CC1(CCC2=C(O1)C=CC(=C2)/C=C(/C(=C/C3=CC=C(C=C3)O)/[N+]#[C-])\[N+]#[C-])C

  • Inchi: InChI=1S/C23H20N2O2/c1-23(2)12-11-18-13-17(7-10-22(18)27-23)15-21(25-4)20(24-3)14-16-5-8-19(26)9-6-16/h5-10,13-15,26H,11-12H2,1-2H3/b20-14-,21-15-

  • Inchikey: ONZXHWTZPHRYLC-SIBCGJTDSA-N

  • 2D structure:

  • 3D structure:

Physico-chemical properties

  • Formula: C23H20N2O2

  • Molecular weight: 356.40

  • Monoisotopic mass: 356.152477885

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