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Cryptoechinulin d

  • Formula: C38H41N3O5

  • Molecular weight: 619.70

  • Smiles: CC1CC2(C(C=C1)C=CC3=C(C=C(C(=C3C=O)O)CC=C(C)C)O)C(=O)NC(=CC4=C(NC5=CC=CC=C54)C(C)(C)C=C)C(=O)N2

  • Type: Indole alkaloid

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Cryptoechinulin d

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

Names

  • Mycotoxin name: Cryptoechinulin d

  • First synonym: Cryptoechinulin d

  • Synonyms: Cryptoechinulin D,58098-50-3

Identifiers / External links

Structure

  • Smiles: CC1CC2(C(C=C1)C=CC3=C(C=C(C(=C3C=O)O)CC=C(C)C)O)C(=O)NC(=CC4=C(NC5=CC=CC=C54)C(C)(C)C=C)C(=O)N2

  • Isomeric smiles: CC1CC2(C(C=C1)/C=C/C3=C(C=C(C(=C3C=O)O)CC=C(C)C)O)C(=O)N/C(=C\C4=C(NC5=CC=CC=C54)C(C)(C)C=C)/C(=O)N2

  • Inchi: InChI=1S/C38H41N3O5/c1-7-37(5,6)34-28(26-10-8-9-11-30(26)39-34)19-31-35(45)41-38(36(46)40-31)20-23(4)13-15-25(38)16-17-27-29(21-42)33(44)24(18-32(27)43)14-12-22(2)3/h7-13,15-19,21,23,25,39,43-44H,1,14,20H2,2-6H3,(H,40,46)(H,41,45)/b17-16+,31-19-

  • Inchikey: DOQVFGVANXVUDE-LGQDLPCBSA-N

  • 2D structure:

  • 3D structure:

Physico-chemical properties

  • Formula: C38H41N3O5

  • Molecular weight: 619.70

  • Monoisotopic mass: 619.30462142

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