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3,5,9-trihydroxyergost-7-en-6-one

  • Formula: C28H46O4

  • Molecular weight: 446.70

  • Smiles: CC(C)C(C)CCC(C)C1CCC2C1(CCC3(C2=CC(=O)C4(C3(CCC(C4)O)C)O)O)C

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3,5,9-trihydroxyergost-7-en-6-one

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

Names

  • Mycotoxin name: 3,5,9-trihydroxyergost-7-en-6-one

  • First synonym: 3,5,9-trihydroxyergost-7-en-6-one

  • Synonyms: 3,5,9-Trihydroxyergost-7-en-6-one,CHEBI:178536,3,5,9-Trihydroxy-24-methylcholest-7-en-6-one,17-(5,6-dimethylheptan-2-yl)-3,5,9-trihydroxy-10,13-dimethyl-1,2,3,4,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthren-6-one

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Structure

  • Smiles: CC(C)C(C)CCC(C)C1CCC2C1(CCC3(C2=CC(=O)C4(C3(CCC(C4)O)C)O)O)C

  • Isomeric smiles: CC(C)C(C)CCC(C)C1CCC2C1(CCC3(C2=CC(=O)C4(C3(CCC(C4)O)C)O)O)C

  • Inchi: InChI=1S/C28H46O4/c1-17(2)18(3)7-8-19(4)21-9-10-22-23-15-24(30)28(32)16-20(29)11-12-26(28,6)27(23,31)14-13-25(21,22)5/h15,17-22,29,31-32H,7-14,16H2,1-6H3

  • Inchikey: WNCDXWLLIJDSNA-UHFFFAOYSA-N

  • 2D structure:

  • 3D structure:

Physico-chemical properties

  • Formula: C28H46O4

  • Molecular weight: 446.70

  • Monoisotopic mass: 446.33960994

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