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Sulpinine a

  • Formula: C32H41NO4

  • Molecular weight: 503.70

  • Smiles: CC(=C)C1C(C2C3(O2)C(O1)CCC4(C3(CCC5C4(C6=C(C5)C7=C(N6)C=C(C=C7)C(C)(C)C=C)C)O)C)O

  • Type: Indole alkaloid (Paspalin/penitem class)

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Sulpinine a

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

Names

  • Mycotoxin name: Sulpinine a

  • First synonym: Sulpinine a

  • Synonyms: Sulpinine A

Identifiers / External links

Structure

  • Smiles: CC(=C)C1C(C2C3(O2)C(O1)CCC4(C3(CCC5C4(C6=C(C5)C7=C(N6)C=C(C=C7)C(C)(C)C=C)C)O)C)O

  • Isomeric smiles: CC(=C)[C@@H]1[C@@H]([C@@H]2[C@@]3(O2)[C@@H](O1)CC[C@]4([C@]3(CC[C@@H]5[C@@]4(C6=C(C5)C7=C(N6)C=C(C=C7)C(C)(C)C=C)C)O)C)O

  • Inchi: InChI=1S/C32H41NO4/c1-8-28(4,5)18-9-10-20-21-15-19-11-14-31(35)29(6,30(19,7)26(21)33-22(20)16-18)13-12-23-32(31)27(37-32)24(34)25(36-23)17(2)3/h8-10,16,19,23-25,27,33-35H,1-2,11-15H2,3-7H3/t19-,23-,24-,25+,27+,29+,30+,31-,32-/m0/s1

  • Inchikey: ODWUQCILJXNGFR-CXUSTFBLSA-N

  • 2D structure:

  • 3D structure:

Physico-chemical properties

  • Formula: C32H41NO4

  • Molecular weight: 503.70

  • Monoisotopic mass: 503.30355879

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