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Sulpinine c

  • Formula: C32H41NO6

  • Molecular weight: 535.70

  • Smiles: CC(=C)C1C(C2C3(O2)C(O1)CCC4(C3(CCC5C4(C(=O)NC6=C(C=CC(=C6)C(C)(C)C=C)C(=O)C5)C)O)C)O

  • Type: Indole alkaloid (Paspalin/penitem class)

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Sulpinine c

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

Names

  • Mycotoxin name: Sulpinine c

  • First synonym: Sulpinine c

  • Synonyms: Sulpinine C,SCHEMBL9015539

Identifiers / External links

Structure

  • Smiles: CC(=C)C1C(C2C3(O2)C(O1)CCC4(C3(CCC5C4(C(=O)NC6=C(C=CC(=C6)C(C)(C)C=C)C(=O)C5)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(C(=O)NC6=C(C=CC(=C6)C(C)(C)C=C)C(=O)C5)C)O)C)O

  • Inchi: InChI=1S/C32H41NO6/c1-8-28(4,5)18-9-10-20-21(15-18)33-27(36)30(7)19(16-22(20)34)11-14-31(37)29(30,6)13-12-23-32(31)26(39-32)24(35)25(38-23)17(2)3/h8-10,15,19,23-26,35,37H,1-2,11-14,16H2,3-7H3,(H,33,36)/t19-,23-,24-,25+,26+,29+,30+,31-,32-/m0/s1

  • Inchikey: VOYIMRFVBGSBTG-SBRCDQMXSA-N

  • 2D structure:

  • 3D structure:

Physico-chemical properties

  • Formula: C32H41NO6

  • Molecular weight: 535.70

  • Monoisotopic mass: 535.29338803

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