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Decaturin c

  • Formula: C30H35NO5

  • Molecular weight: 489.60

  • Smiles: CC1=CCC2C(C13CC4=C(O3)C=C(OC4=O)C5=CN=CC=C5)(CCC6C27CCC(C6(C)C)(OC7)O)C

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Decaturin c

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

Names

  • Mycotoxin name: Decaturin c

  • First synonym: Decaturin c

  • Synonyms: decaturin C,CHEMBL517063

Identifiers / External links

Structure

  • Smiles: CC1=CCC2C(C13CC4=C(O3)C=C(OC4=O)C5=CN=CC=C5)(CCC6C27CCC(C6(C)C)(OC7)O)C

  • Isomeric smiles: CC1=CC[C@H]2[C@]([C@]13CC4=C(O3)C=C(OC4=O)C5=CN=CC=C5)(CC[C@@H]6[C@]27CC[C@@](C6(C)C)(OC7)O)C

  • Inchi: InChI=1S/C30H35NO5/c1-18-7-8-24-27(4,10-9-23-26(2,3)30(33)12-11-28(23,24)17-34-30)29(18)15-20-22(36-29)14-21(35-25(20)32)19-6-5-13-31-16-19/h5-7,13-14,16,23-24,33H,8-12,15,17H2,1-4H3/t23-,24-,27+,28+,29-,30-/m0/s1

  • Inchikey: VVYVYDOUCPUFSI-XHVWOXFNSA-N

  • 2D structure:

  • 3D structure:

Physico-chemical properties

  • Formula: C30H35NO5

  • Molecular weight: 489.60

  • Monoisotopic mass: 489.25152322

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