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Sordarin-3-carboxylic acid

  • Formula: C27H40O9

  • Molecular weight: 508.60

  • Smiles: CC1CCC2C1CC3(C4CC2(C3(C(=C4)C(C)C)C(=O)O)C(=O)O)COC5C(C(C(C(O5)C)OC)O)O

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Sordarin-3-carboxylic acid

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

  • Mycotoxin name: Sordarin-3-carboxylic acid

  • First synonym: Sordarin-3-carboxylic acid

  • Synonyms: Sordarin-3-carboxylic acid

Identifiers / External links

Structure

  • Smiles: CC1CCC2C1CC3(C4CC2(C3(C(=C4)C(C)C)C(=O)O)C(=O)O)COC5C(C(C(C(O5)C)OC)O)O

  • Isomeric smiles: C[C@@H]1CC[C@@H]2[C@@H]1CC3(C4CC2(C3(C(=C4)C(C)C)C(=O)O)C(=O)O)COC5C(C(C(C(O5)C)OC)O)O

  • Inchi: InChI=1S/C27H40O9/c1-12(2)18-8-15-9-26(23(30)31)17-7-6-13(3)16(17)10-25(15,27(18,26)24(32)33)11-35-22-20(29)19(28)21(34-5)14(4)36-22/h8,12-17,19-22,28-29H,6-7,9-11H2,1-5H3,(H,30,31)(H,32,33)/t13-,14?,15?,16-,17-,19?,20?,21?,22?,25?,26?,27?/m1/s1

  • Inchikey: VAVQCGVUDQEFIZ-GQCQILQESA-N

  • 2D structure:

  • 3D structure:

Physico-chemical properties

  • Formula: C27H40O9

  • Molecular weight: 508.60

  • Monoisotopic mass: 508.26723285

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