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Phenylpyropene b

  • Formula: C30H36O7

  • Molecular weight: 508.60

  • Smiles: CC(=O)OCC1(C2CCC3(C(C2(CCC1OC(=O)C)C)CC4=C(O3)C=C(OC4=O)C5=CC=CC=C5)C)C

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Phenylpyropene b

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

Names

  • Mycotoxin name: Phenylpyropene b

  • First synonym: Phenylpyropene b

  • Synonyms: Phenylpyropene B

Identifiers / External links

Structure

  • Smiles: CC(=O)OCC1(C2CCC3(C(C2(CCC1OC(=O)C)C)CC4=C(O3)C=C(OC4=O)C5=CC=CC=C5)C)C

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

  • Inchi: InChI=1S/C30H36O7/c1-18(31)34-17-29(4)24-11-14-30(5)25(28(24,3)13-12-26(29)35-19(2)32)15-21-23(37-30)16-22(36-27(21)33)20-9-7-6-8-10-20/h6-10,16,24-26H,11-15,17H2,1-5H3/t24-,25-,26+,28+,29+,30-/m1/s1

  • Inchikey: CBPHTUXBOQCTIG-UEHVIBGPSA-N

  • 2D structure:

  • 3D structure:

Physico-chemical properties

  • Formula: C30H36O7

  • Molecular weight: 508.60

  • Monoisotopic mass: 508.24610348

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