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Cyclocitrinol

  • Formula: C25H36O4

  • Molecular weight: 400.50

  • Smiles: CC(C=CC(C)(C1CCC2C1(CCC3C2=CC(=O)C4CC(CC=C3C4)O)C)O)O

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Cyclocitrinol

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

Names

  • Mycotoxin name: Cyclocitrinol

  • First synonym: Cyclocitrinol

  • Synonyms: cyclocitrinol,CHEMBL523073

Identifiers / External links

Structure

  • Smiles: CC(C=CC(C)(C1CCC2C1(CCC3C2=CC(=O)C4CC(CC=C3C4)O)C)O)O

  • Isomeric smiles: C[C@H](/C=C/[C@@](C)([C@H]1CC[C@@H]2[C@@]1(CC[C@H]3C2=CC(=O)[C@@H]4C[C@H](CC=C3C4)O)C)O)O

  • Inchi: InChI=1S/C25H36O4/c1-15(26)8-11-25(3,29)23-7-6-21-20-14-22(28)17-12-16(4-5-18(27)13-17)19(20)9-10-24(21,23)2/h4,8,11,14-15,17-19,21,23,26-27,29H,5-7,9-10,12-13H2,1-3H3/b11-8+/t15-,17+,18+,19-,21+,23+,24+,25+/m1/s1

  • Inchikey: QZAMIRPHNVBTIV-HRXCHONESA-N

  • 2D structure:

  • 3D structure:

Physico-chemical properties

  • Formula: C25H36O4

  • Molecular weight: 400.50

  • Monoisotopic mass: 400.26135963

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