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Poaefusarin

  • Formula: C29H36O9

  • Molecular weight: 528.60

  • Smiles: CC12CCC3C(=CC=C4C3(CCC(C4)OC5C(C(C(CO5)O)O)O)C=O)C1(CCC2C6=COC(=O)C=C6)O

  • Type: Steroid

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Poaefusarin

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

Names

  • Mycotoxin name: Poaefusarin

  • First synonym: None

  • Synonyms: Poaefusarin,Bufa-5,7,20,22-tetraenolide, 14-hydroxy-19-oxo-3-(xylosyloxy)-,39284-87-2

Identifiers / External links

Structure

  • Smiles: CC12CCC3C(=CC=C4C3(CCC(C4)OC5C(C(C(CO5)O)O)O)C=O)C1(CCC2C6=COC(=O)C=C6)O

  • Isomeric smiles: C[C@]12CC[C@@H]3C(=CC=C4[C@@]3(CC[C@@H](C4)O[C@H]5[C@H]([C@@H]([C@@H](CO5)O)O)O)C=O)[C@]1(CC[C@@H]2C6=COC(=O)C=C6)O

  • Inchi: InChI=1S/C29H36O9/c1-27-9-7-20-21(29(27,35)11-8-19(27)16-2-5-23(32)36-13-16)4-3-17-12-18(6-10-28(17,20)15-30)38-26-25(34)24(33)22(31)14-37-26/h2-5,13,15,18-20,22,24-26,31,33-35H,6-12,14H2,1H3/t18-,19+,20+,22+,24+,25-,26-,27+,28+,29-/m0/s1

  • Inchikey: AXQVDJJOWPBMKM-XPPQAKCPSA-N

  • 2D structure:

  • 3D structure:

Physico-chemical properties

  • Formula: C29H36O9

  • Molecular weight: 528.60

  • Monoisotopic mass: 528.23593272

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