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Epoxycytochalasin h

  • Formula: C30H39NO5

  • Molecular weight: 493.60

  • Smiles: CC1CC=CC2C3C(O3)(C(C4C2(C(C=CC(C1)(C)O)OC(=O)C)C(=O)NC4CC5=CC=CC=C5)C)C

  • Type: Cytochalasan

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Epoxycytochalasin h

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

Names

  • Mycotoxin name: Epoxycytochalasin h

  • First synonym: Epoxycytochalasin h

  • Synonyms: Epoxycytochalasin H,10H-Cycloundec(d)oxireno(f)isoindol-10-one, 9-(acetyloxy)-3,4,5,6,9,11,12,12a,13,13a,14a,14b-dodecahydro-6-hydroxy-4,6,13,13a-tetramethyl-12-(phenylmethyl)-, (1E,4S,6R,7E,9R,9aR,12S,12aR,13S,13aR,14aS,14bR)-,21-Acetoxy-6,7-epoxy-18-hydroxy-10-phenyl-5,6,16,18-tetramethyl(11)cytochalasa-13,19-dien-1-one,80618-96-8

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Structure

  • Smiles: CC1CC=CC2C3C(O3)(C(C4C2(C(C=CC(C1)(C)O)OC(=O)C)C(=O)NC4CC5=CC=CC=C5)C)C

  • Isomeric smiles: C[C@H]1C/C=C/[C@H]2[C@H]3[C@](O3)([C@H]([C@@H]4C2([C@@H](/C=C/[C@](C1)(C)O)OC(=O)C)C(=O)N[C@H]4CC5=CC=CC=C5)C)C

  • Inchi: InChI=1S/C30H39NO5/c1-18-10-9-13-22-26-29(5,36-26)19(2)25-23(16-21-11-7-6-8-12-21)31-27(33)30(22,25)24(35-20(3)32)14-15-28(4,34)17-18/h6-9,11-15,18-19,22-26,34H,10,16-17H2,1-5H3,(H,31,33)/b13-9+,15-14+/t18-,19-,22-,23-,24+,25-,26-,28-,29+,30?/m0/s1

  • Inchikey: QHZKOXCMCJMHJE-OAPCWXNASA-N

  • 2D structure:

  • 3D structure:

Physico-chemical properties

  • Formula: C30H39NO5

  • Molecular weight: 493.60

  • Monoisotopic mass: 493.28282334

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