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Cytosporin b

  • Formula: C17H27ClO5

  • Molecular weight: 346.80

  • Smiles: CCCCCC1=C(C2C(CC(C(O2)(C)C)O)(C(C1O)Cl)O)C=O

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Cytosporin b

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

  • Mycotoxin name: Cytosporin b

  • First synonym: Cytosporin b

  • Synonyms: Cytosporin B

Identifiers / External links

Structure

  • Smiles: CCCCCC1=C(C2C(CC(C(O2)(C)C)O)(C(C1O)Cl)O)C=O

  • Isomeric smiles: CCCCCC1=C([C@@H]2[C@@](C[C@H](C(O2)(C)C)O)([C@@H]([C@H]1O)Cl)O)C=O

  • Inchi: InChI=1S/C17H27ClO5/c1-4-5-6-7-10-11(9-19)15-17(22,14(18)13(10)21)8-12(20)16(2,3)23-15/h9,12-15,20-22H,4-8H2,1-3H3/t12-,13+,14-,15-,17-/m1/s1

  • Inchikey: YSYMCIKNYHKBHZ-JRBZFYFNSA-N

  • 2D structure:

  • 3D structure:

Physico-chemical properties

  • Formula: C17H27ClO5

  • Molecular weight: 346.80

  • Monoisotopic mass: 346.1547017

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