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Sclerotiamide

  • Formula: C26H29N3O5

  • Molecular weight: 463.50

  • Smiles: CC1(C=CC2=C(O1)C=CC3=C2NC(=O)C34C(C56C(C4(C)C)CC7(CCCN7C5=O)C(=O)N6)O)C

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Sclerotiamide

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

Names

  • Mycotoxin name: Sclerotiamide

  • First synonym: Sclerotiamide

  • Synonyms: Sclerotiamide,(-)-Sclerotiamide,CHEMBL511731,BDBM50535809

Identifiers / External links

Structure

  • Smiles: CC1(C=CC2=C(O1)C=CC3=C2NC(=O)C34C(C56C(C4(C)C)CC7(CCCN7C5=O)C(=O)N6)O)C

  • Isomeric smiles: CC1(C=CC2=C(O1)C=CC3=C2NC(=O)[C@@]34[C@@H]([C@]56[C@H](C4(C)C)C[C@@]7(CCCN7C5=O)C(=O)N6)O)C

  • Inchi: InChI=1S/C26H29N3O5/c1-22(2)10-8-13-15(34-22)7-6-14-17(13)27-20(32)25(14)18(30)26-16(23(25,3)4)12-24(19(31)28-26)9-5-11-29(24)21(26)33/h6-8,10,16,18,30H,5,9,11-12H2,1-4H3,(H,27,32)(H,28,31)/t16-,18-,24-,25-,26+/m0/s1

  • Inchikey: CFJMAERFDLWMJL-LQKPOZSPSA-N

  • 2D structure:

  • 3D structure:

Physico-chemical properties

  • Formula: C26H29N3O5

  • Molecular weight: 463.50

  • Monoisotopic mass: 463.21072103

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