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Brefeldin C

  • Formula: C16H24O3

  • Molecular weight: 264.36

  • Smiles: CC1CCCC=CC2CCCC2C(C=CC(=O)O1)O

  • Type: Macrolactone

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Brefeldin C

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

  • Mycotoxin name: Brefeldin C

  • First synonym: None

  • Synonyms: Brefeldin C,73899-78-2,(1R,2R,3Z,7S,11Z,13S)-2-hydroxy-7-methyl-6-oxabicyclo[11.3.0]hexadeca-3,11-dien-5-one,4H-Cyclopent(f)oxacyclotridecin-4-one, 1,6,7,8,9,11a,12,13,14,14a-decahydro-1-hydroxy-6-methyl-, (1R-(1R*,2E,6S*,10E,11aS*,14aR*))-,(1R,2R,3Z,7S,11Z,13S)-2-hydroxy-7-methyl-6-oxabicyclo(11.3.0)hexadeca-3,11-dien-5-one

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Structure

  • Smiles: CC1CCCC=CC2CCCC2C(C=CC(=O)O1)O

  • Isomeric smiles: C[C@H]1CCC/C=C\[C@@H]2CCC[C@H]2[C@@H](/C=C\C(=O)O1)O

  • Inchi: InChI=1S/C16H24O3/c1-12-6-3-2-4-7-13-8-5-9-14(13)15(17)10-11-16(18)19-12/h4,7,10-15,17H,2-3,5-6,8-9H2,1H3/b7-4-,11-10-/t12-,13+,14+,15+/m0/s1

  • Inchikey: DDFOHHVPBOQQDW-QHGHZAPRSA-N

  • 2D structure:

  • 3D structure:

Physico-chemical properties

  • Formula: C16H24O3

  • Molecular weight: 264.36

  • Monoisotopic mass: 264.17254462

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