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Phenylpyropene c

  • Formula: C28H34O5

  • Molecular weight: 450.60

  • Smiles: CC(=O)OC1CCC2(C(C1(C)C)CCC3(C2CC4=C(O3)C=C(OC4=O)C5=CC=CC=C5)C)C

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Phenylpyropene c

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

Names

  • Mycotoxin name: Phenylpyropene c

  • First synonym: Phenylpyropene c

  • Synonyms: Phenylpyropene C,J3.517.739F,S14-95,S-14-95

Identifiers / External links

Structure

  • Smiles: CC(=O)OC1CCC2(C(C1(C)C)CCC3(C2CC4=C(O3)C=C(OC4=O)C5=CC=CC=C5)C)C

  • Isomeric smiles: CC(=O)O[C@H]1CC[C@]2([C@H](C1(C)C)CC[C@@]3([C@@H]2CC4=C(O3)C=C(OC4=O)C5=CC=CC=C5)C)C

  • Inchi: InChI=1S/C28H34O5/c1-17(29)31-24-12-13-27(4)22(26(24,2)3)11-14-28(5)23(27)15-19-21(33-28)16-20(32-25(19)30)18-9-7-6-8-10-18/h6-10,16,22-24H,11-15H2,1-5H3/t22-,23+,24-,27-,28+/m0/s1

  • Inchikey: MIBRSIZECYPMLX-KZEXJIRGSA-N

  • 2D structure:

  • 3D structure:

Physico-chemical properties

  • Formula: C28H34O5

  • Molecular weight: 450.60

  • Monoisotopic mass: 450.24062418

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