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Berkelic acid

  • Formula: C29H40O9

  • Molecular weight: 532.60

  • Smiles: CCCCCC1CC2=CC(=C(C3=C2C(O1)CC4(O3)C(C(CO4)CC(=O)C(C)(CC)C(=O)OC)C)C(=O)O)O

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Berkelic acid

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

Names

  • Mycotoxin name: Berkelic acid

  • First synonym: Berkelic acid

  • Synonyms: berkelic acid,CHEMBL1823115

Identifiers / External links

Structure

  • Smiles: CCCCCC1CC2=CC(=C(C3=C2C(O1)CC4(O3)C(C(CO4)CC(=O)C(C)(CC)C(=O)OC)C)C(=O)O)O

  • Isomeric smiles: CCCCC[C@@H]1CC2=CC(=C(C3=C2[C@@H](O1)C[C@]4(O3)[C@@H]([C@H](CO4)CC(=O)C(C)(CC)C(=O)OC)C)C(=O)O)O

  • Inchi: InChI=1S/C29H40O9/c1-6-8-9-10-19-11-17-12-20(30)24(26(32)33)25-23(17)21(37-19)14-29(38-25)16(3)18(15-36-29)13-22(31)28(4,7-2)27(34)35-5/h12,16,18-19,21,30H,6-11,13-15H2,1-5H3,(H,32,33)/t16-,18+,19-,21+,28?,29+/m1/s1

  • Inchikey: KUPCHRRTAPZASB-VMBHYQKPSA-N

  • 2D structure:

  • 3D structure:

Physico-chemical properties

  • Formula: C29H40O9

  • Molecular weight: 532.60

  • Monoisotopic mass: 532.26723285

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