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Sulpinine b

  • Formula: C32H41NO3

  • Molecular weight: 487.70

  • Smiles: CC(=C)C1C(C=C2C(O1)CCC3(C2(CCC4C3(C5=C(C4)C6=C(N5)C=C(C=C6)C(C)(C)C=C)C)O)C)O

  • Type: Indole alkaloid (Paspalin/penitem class)

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Sulpinine b

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

Names

  • Mycotoxin name: Sulpinine b

  • First synonym: Sulpinine b

  • Synonyms: Sulpinine B,SCHEMBL6328453

Identifiers / External links

Structure

  • Smiles: CC(=C)C1C(C=C2C(O1)CCC3(C2(CCC4C3(C5=C(C4)C6=C(N5)C=C(C=C6)C(C)(C)C=C)C)O)C)O

  • Isomeric smiles: CC(=C)[C@@H]1[C@@H](C=C2[C@@H](O1)CC[C@]3([C@]2(CC[C@@H]4[C@@]3(C5=C(C4)C6=C(N5)C=C(C=C6)C(C)(C)C=C)C)O)C)O

  • Inchi: InChI=1S/C32H41NO3/c1-8-29(4,5)19-9-10-21-22-15-20-11-14-32(35)23-17-25(34)27(18(2)3)36-26(23)12-13-30(32,6)31(20,7)28(22)33-24(21)16-19/h8-10,16-17,20,25-27,33-35H,1-2,11-15H2,3-7H3/t20-,25+,26-,27+,30+,31+,32+/m0/s1

  • Inchikey: XPYLFGPDHCCOLE-IDNFIPLESA-N

  • 2D structure:

  • 3D structure:

Physico-chemical properties

  • Formula: C32H41NO3

  • Molecular weight: 487.70

  • Monoisotopic mass: 487.30864417

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