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Aspochalasin b

  • Formula: C24H33NO4

  • Molecular weight: 399.50

  • Smiles: CC1C2C(NC(=O)C23C(C=C(CCC(C(=O)C=CC3=O)O)C)C=C1C)CC(C)C

  • Type: Cytochalasan

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Aspochalasin b

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

  • Mycotoxin name: Aspochalasin b

  • First synonym: 72363-47-4

  • Synonyms: 72363-47-4,Aspochalasin B,1H-Cycloundec(d)isoindole-1,12,15-trione, 2,3,3a,4,6a,9,10,11-octahydro-11-hydroxy-4,5,8-trimethyl-3-(2-methylpropyl)-, (3S,3aR,4S,6aS,7E,11S,13E,15aS)-

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Structure

  • Smiles: CC1C2C(NC(=O)C23C(C=C(CCC(C(=O)C=CC3=O)O)C)C=C1C)CC(C)C

  • Isomeric smiles: C[C@H]1[C@H]2[C@@H](NC(=O)[C@@]23[C@@H](/C=C(\CC[C@@H](C(=O)/C=C\C3=O)O)/C)C=C1C)CC(C)C

  • Inchi: InChI=1S/C24H33NO4/c1-13(2)10-18-22-16(5)15(4)12-17-11-14(3)6-7-19(26)20(27)8-9-21(28)24(17,22)23(29)25-18/h8-9,11-13,16-19,22,26H,6-7,10H2,1-5H3,(H,25,29)/b9-8-,14-11-/t16-,17+,18+,19+,22+,24-/m1/s1

  • Inchikey: BVKOTAZOMFVYMH-YBCLPTENSA-N

  • 2D structure:

  • 3D structure:

Physico-chemical properties

  • Formula: C24H33NO4

  • Molecular weight: 399.50

  • Monoisotopic mass: 399.24095853

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