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Beta-helmiscapene

  • Formula: C15H24

  • Molecular weight: 204.35

  • Smiles: CC(=C)C1CCC2(CCCC(=C)C2C1)C

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Beta-helmiscapene

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

  • Mycotoxin name: Beta-helmiscapene

  • First synonym: Beta-helmiscapene

  • Synonyms: beta-Helmiscapene,17066-67-0

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Structure

  • Smiles: CC(=C)C1CCC2(CCCC(=C)C2C1)C

  • Isomeric smiles: CC(=C)[C@H]1CC[C@]2(CCCC(=C)[C@H]2C1)C

  • Inchi: InChI=1S/C15H24/c1-11(2)13-7-9-15(4)8-5-6-12(3)14(15)10-13/h13-14H,1,3,5-10H2,2,4H3/t13-,14+,15+/m0/s1

  • Inchikey: YOVSPTNQHMDJAG-RRFJBIMHSA-N

  • 2D structure:

  • 3D structure:

Physico-chemical properties

  • Formula: C15H24

  • Molecular weight: 204.35

  • Monoisotopic mass: 204.187800766

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