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Tropolactone d

  • Formula: C26H36O7

  • Molecular weight: 460.60

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

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Tropolactone d

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

  • Mycotoxin name: Tropolactone d

  • First synonym: Tropolactone d

  • Synonyms: Tropolactone D

Identifiers / External links

Structure

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

  • Isomeric smiles: CC1=C2[C@@](C[C@@H]3[C@@](O2)(CC[C@@H]4[C@@]3([C@@H](CC(=O)OC4(C)C)O)C)C)(C(=C(C1=O)C(=O)OC)C)C

  • Inchi: InChI=1S/C26H36O7/c1-13-20(29)19(22(30)31-8)14(2)24(5)12-16-25(6,33-21(13)24)10-9-15-23(3,4)32-18(28)11-17(27)26(15,16)7/h15-17,27H,9-12H2,1-8H3/t15-,16+,17+,24-,25-,26-/m0/s1

  • Inchikey: FVVVFFAEUUPXEB-VCQHOALXSA-N

  • 2D structure:

  • 3D structure:

Physico-chemical properties

  • Formula: C26H36O7

  • Molecular weight: 460.60

  • Monoisotopic mass: 460.24610348

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