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Tropolactone a

  • Formula: C26H34O7

  • Molecular weight: 458.50

  • Smiles: CC1=C(C(=O)C(=C2C(=C1)CC3C(O2)(CCC4C3(C(CC(=O)OC4(C)C)O)C)C)C)C(=O)OC

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Tropolactone a

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

Names

  • Mycotoxin name: Tropolactone a

  • First synonym: Tropolactone a

  • Synonyms: Tropolactone A

Identifiers / External links

Structure

  • Smiles: CC1=C(C(=O)C(=C2C(=C1)CC3C(O2)(CCC4C3(C(CC(=O)OC4(C)C)O)C)C)C)C(=O)OC

  • Isomeric smiles: CC1=C(C(=O)C(=C2C(=C1)C[C@@H]3[C@@](O2)(CC[C@@H]4[C@@]3([C@@H](CC(=O)OC4(C)C)O)C)C)C)C(=O)OC

  • Inchi: InChI=1S/C26H34O7/c1-13-10-15-11-17-25(5,33-22(15)14(2)21(29)20(13)23(30)31-7)9-8-16-24(3,4)32-19(28)12-18(27)26(16,17)6/h10,16-18,27H,8-9,11-12H2,1-7H3/t16-,17+,18+,25-,26-/m0/s1

  • Inchikey: WNUMYPZZQQLDBA-LDWMDBKYSA-N

  • 2D structure:

  • 3D structure:

Physico-chemical properties

  • Formula: C26H34O7

  • Molecular weight: 458.50

  • Monoisotopic mass: 458.23045342

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