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cytosporolide b

  • Formula: C32H46O8

  • Molecular weight: 558.70

  • Smiles: CCCCCCC1CC2=CC(=C3C(=C2C(O1)C4C(C=C(C5CC(C5(CCC4(OOC3=O)C)O)(C)C)CO)O)C)O

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cytosporolide b

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

  • Mycotoxin name: cytosporolide b

  • First synonym: None

  • Synonyms: Cytosporolide B,CHEBI:204215,(1R,2R,3S,4E,6R,9S,12S,21R)-21-hexyl-3,9,17-trihydroxy-5-(hydroxymethyl)-8,8,12,24-tetramethyl-13,14,22-trioxapentacyclo[14.6.2.02,12.06,9.019,23]tetracosa-4,16,18,23-tetraen-15-one

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Structure

  • Smiles: CCCCCCC1CC2=CC(=C3C(=C2C(O1)C4C(C=C(C5CC(C5(CCC4(OOC3=O)C)O)(C)C)CO)O)C)O

  • Isomeric smiles: CCCCCC[C@@H]1CC2=CC(=C3C(=C2[C@H](O1)[C@H]4[C@H](/C=C(\[C@H]5CC([C@@]5(CC[C@@]4(OOC3=O)C)O)(C)C)/CO)O)C)O

  • Inchi: InChI=1S/C32H46O8/c1-6-7-8-9-10-21-13-19-14-23(34)26-18(2)25(19)28(38-21)27-24(35)15-20(17-33)22-16-30(3,4)32(22,37)12-11-31(27,5)40-39-29(26)36/h14-15,21-22,24,27-28,33-35,37H,6-13,16-17H2,1-5H3/b20-15-/t21-,22-,24+,27-,28+,31+,32+/m1/s1

  • Inchikey: FESKCHKMYDJROC-VIEOXVQGSA-N

  • 2D structure:

  • 3D structure:

Physico-chemical properties

  • Formula: C32H46O8

  • Molecular weight: 558.70

  • Monoisotopic mass: 558.31926842

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