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Cytochalasin opho

  • Formula: C28H37NO4

  • Molecular weight: 451.60

  • Smiles: CC1CC=CC2C(C(=C(C3C2(C(C=CC(C1)(C)O)O)C(=O)NC3CC4=CC=CC=C4)C)C)O

  • Type: Cytochalasan

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Cytochalasin opho

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

  • Mycotoxin name: Cytochalasin opho

  • First synonym: Cytochalasin opho

  • Synonyms: Cytochalasin Opho,108050-26-6,(3E,9E)-16-Benzyl-2,5,12-trihydroxy-5,7,13,14-tetramethyl-17-azatricyclo[9.7.0.01,15]octadeca-3,9,13-trien-18-one,CHEBI:186013,(11)Cytochalasa-5,13,19-trien-1-one, 7,18,21-trihydroxy-16,18-dimethyl-10-phenyl-, (7S,13E,16S,18R,19E,21R)-,1H-Cycloundec(d)isoindol-1-one, 2,3,3a,6,6a,9,10,11,12,15-decahydro-6,12,15-trihydroxy-4,5,10,12-tetramethyl-3-(phenylmethyl)-, (3S,3aR,6S,6aR,7E,10S,12R,13E,15R,15aR)-,1H-Cycloundec(d)isoindol-1-one, 2,3,3a,6,6a,9,10,11,12,15-decahydro-6,12,15-trihydroxy-4,5,10,12-tetramethyl-3-(phenylmethyl)-, (3S-(3R*,3aS*,6R*,6aS*,7E,10R*,12S*,13E,15S*,15aS*))-

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Structure

  • Smiles: CC1CC=CC2C(C(=C(C3C2(C(C=CC(C1)(C)O)O)C(=O)NC3CC4=CC=CC=C4)C)C)O

  • Isomeric smiles: CC1C/C=C/C2C(C(=C(C3C2(C(/C=C/C(C1)(C)O)O)C(=O)NC3CC4=CC=CC=C4)C)C)O

  • Inchi: InChI=1S/C28H37NO4/c1-17-9-8-12-21-25(31)19(3)18(2)24-22(15-20-10-6-5-7-11-20)29-26(32)28(21,24)23(30)13-14-27(4,33)16-17/h5-8,10-14,17,21-25,30-31,33H,9,15-16H2,1-4H3,(H,29,32)/b12-8+,14-13+

  • Inchikey: UMHVFKLUODBPSC-KRQHZRJMSA-N

  • 2D structure:

  • 3D structure:

Physico-chemical properties

  • Formula: C28H37NO4

  • Molecular weight: 451.60

  • Monoisotopic mass: 451.27225866

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