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7beta,8beta-epoxyisororidin e

  • Formula: C29H36O9

  • Molecular weight: 528.60

  • Smiles: CC1=CC(=O)OCC23C(C=C(C4C2O4)C)OC5CC(C3(C56CO6)C)OC(=O)C=CC=CC(OCC1)C(C)O

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7beta,8beta-epoxyisororidin e

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

Names

  • Mycotoxin name: 7beta,8beta-epoxyisororidin e

  • First synonym: 7beta,8beta-epoxyisororidin e

  • Synonyms: 7beta,8beta-Epoxyisororidin E,64687-83-8

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Structure

  • Smiles: CC1=CC(=O)OCC23C(C=C(C4C2O4)C)OC5CC(C3(C56CO6)C)OC(=O)C=CC=CC(OCC1)C(C)O

  • Isomeric smiles: C/C/1=C\C(=O)OC[C@@]23[C@@H](C=C([C@H]4[C@@H]2O4)C)O[C@@H]5C[C@H]([C@]3([C@]56CO6)C)OC(=O)/C=C\C=C\[C@H](OCC1)[C@@H](C)O

  • Inchi: InChI=1S/C29H36O9/c1-16-9-10-33-19(18(3)30)7-5-6-8-23(31)37-20-13-22-29(15-35-29)27(20,4)28(14-34-24(32)11-16)21(36-22)12-17(2)25-26(28)38-25/h5-8,11-12,18-22,25-26,30H,9-10,13-15H2,1-4H3/b7-5+,8-6-,16-11+/t18-,19+,20-,21-,22-,25+,26+,27-,28-,29+/m1/s1

  • Inchikey: SVPSTMIMOGGJOG-LUGVTPJISA-N

  • 2D structure:

  • 3D structure:

Physico-chemical properties

  • Formula: C29H36O9

  • Molecular weight: 528.60

  • Monoisotopic mass: 528.23593272

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