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Chaetoglobosin u

  • Formula: C32H36N2O5

  • Molecular weight: 528.60

  • Smiles: CC1CC=CC2C3C(O3)(C(C4C2(C(=O)CC5C1C(=C(C5=O)O)C)C(=O)NC4CC6=CNC7=CC=CC=C76)C)C

  • Type: Cytochalasan

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Chaetoglobosin u

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

Names

  • Mycotoxin name: Chaetoglobosin u

  • First synonym: Chaetoglobosin u

  • Synonyms: Chaetoglobosin U,CHEBI:68733,CHEMBL448756,Q27137152,(3aR,5aR,8S,8aR,9S,9aR,10aS,10bR,11E,14S,14aR)-2-hydroxy-8-(1H-indol-3-ylmethyl)-1,9,9a,14-tetramethyl-3a,4,7,8,8a,9,9a,10a,10b,13,14,14a-dodecahydro-3H-cyclopenta[7,8]cyclodeca[1,2-d]oxireno[f]isoindole-3,5,6-trione

Identifiers / External links

Structure

  • Smiles: CC1CC=CC2C3C(O3)(C(C4C2(C(=O)CC5C1C(=C(C5=O)O)C)C(=O)NC4CC6=CNC7=CC=CC=C76)C)C

  • Isomeric smiles: C[C@H]1C/C=C/[C@H]2[C@H]3[C@](O3)([C@H]([C@@H]4[C@@]2(C(=O)C[C@@H]5[C@@H]1C(=C(C5=O)O)C)C(=O)N[C@H]4CC6=CNC7=CC=CC=C76)C)C

  • Inchi: InChI=1S/C32H36N2O5/c1-15-8-7-10-21-29-31(4,39-29)17(3)26-23(12-18-14-33-22-11-6-5-9-19(18)22)34-30(38)32(21,26)24(35)13-20-25(15)16(2)27(36)28(20)37/h5-7,9-11,14-15,17,20-21,23,25-26,29,33,36H,8,12-13H2,1-4H3,(H,34,38)/b10-7+/t15-,17-,20+,21-,23-,25-,26-,29-,31+,32+/m0/s1

  • Inchikey: MRENMDHAGXAXRK-QFHPAQOTSA-N

  • 2D structure:

  • 3D structure:

Physico-chemical properties

  • Formula: C32H36N2O5

  • Molecular weight: 528.60

  • Monoisotopic mass: 528.26242225

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