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Win 66306

  • Formula: C41H52N8O9

  • Molecular weight: 800.90

  • Smiles: CC(C)C1C(=O)NCC(=O)NC(C(=O)NCC(=O)NC(C(=O)N2CCCC2C(=O)NCC(=O)N1)CC3=CNC4=CC=CC=C43)C(C5=CC(=C(C=C5)O)CC=C(C)C)O

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Win 66306

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

  • Mycotoxin name: Win 66306

  • First synonym: None

  • Synonyms: Win 66306,(3S,9S,15S,21S)-9-[hydroxy-[4-hydroxy-3-(3-methylbut-2-enyl)phenyl]methyl]-3-(1H-indol-3-ylmethyl)-15-propan-2-yl-1,4,7,10,13,16,19-heptazabicyclo[19.3.0]tetracosane-2,5,8,11,14,17,20-heptone,(3S,9S,15S,21S)-9-(hydroxy-(4-hydroxy-3-(3-methylbut-2-enyl)phenyl)methyl)-3-(1H-indol-3-ylmethyl)-15-propan-2-yl-1,4,7,10,13,16,19-heptazabicyclo(19.3.0)tetracosane-2,5,8,11,14,17,20-heptone,CHEBI:201878

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Structure

  • Smiles: CC(C)C1C(=O)NCC(=O)NC(C(=O)NCC(=O)NC(C(=O)N2CCCC2C(=O)NCC(=O)N1)CC3=CNC4=CC=CC=C43)C(C5=CC(=C(C=C5)O)CC=C(C)C)O

  • Isomeric smiles: CC(C)[C@H]1C(=O)NCC(=O)N[C@H](C(=O)NCC(=O)N[C@H](C(=O)N2CCC[C@H]2C(=O)NCC(=O)N1)CC3=CNC4=CC=CC=C43)C(C5=CC(=C(C=C5)O)CC=C(C)C)O

  • Inchi: InChI=1S/C41H52N8O9/c1-22(2)11-12-24-16-25(13-14-31(24)50)37(54)36-40(57)45-19-32(51)46-29(17-26-18-42-28-9-6-5-8-27(26)28)41(58)49-15-7-10-30(49)38(55)43-20-33(52)47-35(23(3)4)39(56)44-21-34(53)48-36/h5-6,8-9,11,13-14,16,18,23,29-30,35-37,42,50,54H,7,10,12,15,17,19-21H2,1-4H3,(H,43,55)(H,44,56)(H,45,57)(H,46,51)(H,47,52)(H,48,53)/t29-,30-,35-,36-,37?/m0/s1

  • Inchikey: BNPYZZVTLFIGQT-VUPYCZGQSA-N

  • 2D structure:

  • 3D structure:

Physico-chemical properties

  • Formula: C41H52N8O9

  • Molecular weight: 800.90

  • Monoisotopic mass: 800.38572527

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