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Epoxycytochalasin j

  • Formula: C28H37NO4

  • Molecular weight: 451.60

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

  • Type: Cytochalasan

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Epoxycytochalasin j

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

  • Mycotoxin name: Epoxycytochalasin j

  • First synonym: Epoxycytochalasin j

  • Synonyms: Epoxycytochalasin J

Identifiers / External links

Structure

  • Smiles: CC1CC=CC2C3C(O3)(C(C4C2(C(C=CC(C1)(C)O)O)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]4[C@@]2([C@@H](/C=C/[C@](C1)(C)O)O)C(=O)N[C@H]4CC5=CC=CC=C5)C)C

  • Inchi: InChI=1S/C28H37NO4/c1-17-9-8-12-20-24-27(4,33-24)18(2)23-21(15-19-10-6-5-7-11-19)29-25(31)28(20,23)22(30)13-14-26(3,32)16-17/h5-8,10-14,17-18,20-24,30,32H,9,15-16H2,1-4H3,(H,29,31)/b12-8+,14-13+/t17-,18-,20-,21-,22+,23+,24-,26-,27+,28+/m0/s1

  • Inchikey: COONBRMXQBPXKF-VKIWLIBSSA-N

  • 2D structure:

  • 3D structure:

Physico-chemical properties

  • Formula: C28H37NO4

  • Molecular weight: 451.60

  • Monoisotopic mass: 451.27225866

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