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Talaroconvolutin c

  • Formula: C34H49NO5

  • Molecular weight: 551.80

  • Smiles: CCC(C)C=C(C)C1C(C2CCC(CC2(C=C1C)C)C)C(=O)C3C(C(NC3=O)(CC4=CC=C(C=C4)O)O)OCC

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Talaroconvolutin c

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

  • Mycotoxin name: Talaroconvolutin c

  • First synonym: Talaroconvolutin c

  • Synonyms: Talaroconvolutin C,CHEMBL501712

Identifiers / External links

Structure

  • Smiles: CCC(C)C=C(C)C1C(C2CCC(CC2(C=C1C)C)C)C(=O)C3C(C(NC3=O)(CC4=CC=C(C=C4)O)O)OCC

  • Isomeric smiles: CCC(C)/C=C(\C)/[C@@H]1[C@@H]([C@H]2CC[C@@H](C[C@@]2(C=C1C)C)C)C(=O)C3C(C(NC3=O)(CC4=CC=C(C=C4)O)O)OCC

  • Inchi: InChI=1S/C34H49NO5/c1-8-20(3)16-22(5)27-23(6)18-33(7)17-21(4)10-15-26(33)28(27)30(37)29-31(40-9-2)34(39,35-32(29)38)19-24-11-13-25(36)14-12-24/h11-14,16,18,20-21,26-29,31,36,39H,8-10,15,17,19H2,1-7H3,(H,35,38)/b22-16+/t20?,21-,26+,27-,28+,29?,31?,33+,34?/m0/s1

  • Inchikey: SDUCDGMAWSHYSB-CITNPMNLSA-N

  • 2D structure:

  • 3D structure:

Physico-chemical properties

  • Formula: C34H49NO5

  • Molecular weight: 551.80

  • Monoisotopic mass: 551.36107366

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