Cytochalasin npho

  • Formula: C30H39NO5

  • Molecular weight: 493.60

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

  • Type: Cytochalasan

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Cytochalasin npho

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

  • Mycotoxin name: Cytochalasin npho

  • First synonym: Cytochalasin npho

  • Synonyms: Cytochalasin Npho,108050-28-8,[(3E,9E)-16-benzyl-5,12-dihydroxy-5,7,13,14-tetramethyl-18-oxo-17-azatricyclo[9.7.0.01,15]octadeca-3,9,13-trien-2-yl] acetate,CHEBI:172713,(11)Cytochalasa-5,13,19-trien-1-one, 21-(acetyloxy)-7,18-dihydroxy-16,18-dimethyl-10-phenyl-, (7S,13E,16S,18R,19E,21R)-,1H-Cycloundec(d)isoindol-1-one, 15-(acetyloxy)-2,3,3a,6,6a,9,10,11,12,15-decahydro-6,12-dihydroxy-4,5,10,12-tetramethyl-3-(phenylmethyl)-, (3S,3aR,6S,6aR,7E,10S,12R,13E,15R,15aR)-,1H-Cycloundec(d)isoindol-1-one, 15-(acetyloxy)-2,3,3a,6,6a,9,10,11,12,15-decahydro-6,12-dihydroxy-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)OC(=O)C)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)OC(=O)C)C(=O)NC3CC4=CC=CC=C4)C)C)O

  • Inchi: InChI=1S/C30H39NO5/c1-18-10-9-13-23-27(33)20(3)19(2)26-24(16-22-11-7-6-8-12-22)31-28(34)30(23,26)25(36-21(4)32)14-15-29(5,35)17-18/h6-9,11-15,18,23-27,33,35H,10,16-17H2,1-5H3,(H,31,34)/b13-9+,15-14+

  • Inchikey: WFSYATBEJTUDQA-BBXOWAOSSA-N

  • 2D structure:

  • 3D structure:

Physico-chemical properties

  • Formula: C30H39NO5

  • Molecular weight: 493.60

  • Monoisotopic mass: 493.28282334

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