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Cytochalasin s

  • Formula: C28H39NO5

  • Molecular weight: 469.60

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

  • Type: Cytochalasan

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Cytochalasin s

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

Names

  • Mycotoxin name: Cytochalasin s

  • First synonym: Cytochalasin s

  • Synonyms: Cytochalasin S,SCHEMBL33544,MLS000563213,CHEMBL3209129,SMR000470867

Identifiers / External links

Structure

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

  • Isomeric smiles: C[C@H]1C/C=C/[C@H]2[C@@H]([C@@H]([C@@]([C@@H]3[C@@]2([C@@H](/C=C/[C@](C1)(C)O)O)C(=O)N[C@H]3CC4=CC=CC=C4)(C)O)C)O

  • Inchi: InChI=1S/C28H39NO5/c1-17-9-8-12-20-23(31)18(2)27(4,34)24-21(15-19-10-6-5-7-11-19)29-25(32)28(20,24)22(30)13-14-26(3,33)16-17/h5-8,10-14,17-18,20-24,30-31,33-34H,9,15-16H2,1-4H3,(H,29,32)/b12-8+,14-13+/t17-,18-,20-,21-,22+,23+,24+,26-,27+,28+/m0/s1

  • Inchikey: IWNYMETYLRNJJP-RCKNNXTOSA-N

  • 2D structure:

  • 3D structure:

Physico-chemical properties

  • Formula: C28H39NO5

  • Molecular weight: 469.60

  • Monoisotopic mass: 469.28282334

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