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Brassicicene c

  • Formula: C21H32O4

  • Molecular weight: 348.50

  • Smiles: CC1C2CCC(C2=CC3C(C(=O)C(=C3CC1O)C(C)C)C)(COC)O

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Brassicicene c

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

  • Mycotoxin name: Brassicicene c

  • First synonym: Brassicicene c

  • Synonyms: brassicicene C

Identifiers / External links

Structure

  • Smiles: CC1C2CCC(C2=CC3C(C(=O)C(=C3CC1O)C(C)C)C)(COC)O

  • Isomeric smiles: C[C@@H]1[C@@H]\2CCC(/C2=C/[C@H]3[C@@H](C(=O)C(=C3CC1O)C(C)C)C)(COC)O

  • Inchi: InChI=1S/C21H32O4/c1-11(2)19-16-9-18(22)12(3)14-6-7-21(24,10-25-5)17(14)8-15(16)13(4)20(19)23/h8,11-15,18,22,24H,6-7,9-10H2,1-5H3/b17-8+/t12-,13+,14+,15+,18?,21?/m1/s1

  • Inchikey: JYZGDIADQSQUAG-POPLHLQASA-N

  • 2D structure:

  • 3D structure:

Physico-chemical properties

  • Formula: C21H32O4

  • Molecular weight: 348.50

  • Monoisotopic mass: 348.2300595

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