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14'-hydroxymytoxin b

  • Formula: C29H36O10

  • Molecular weight: 544.60

  • Smiles: CC1=CC2C3(CC1)COC(=O)C=C4CCOC(C4O)(CCC=CC(=O)OC5C3(C6(CO6)C(C5)O2)C)C(=O)CO

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14'-hydroxymytoxin b

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

  • Mycotoxin name: 14'-hydroxymytoxin b

  • First synonym: 14'-hydroxymytoxin b

  • Synonyms: 14'-Hydroxymytoxin B

Identifiers / External links

Structure

  • Smiles: CC1=CC2C3(CC1)COC(=O)C=C4CCOC(C4O)(CCC=CC(=O)OC5C3(C6(CO6)C(C5)O2)C)C(=O)CO

  • Isomeric smiles: CC1=C[C@@H]2[C@@]3(CC1)COC(=O)/C=C\4/CCO[C@]([C@@H]4O)(CC/C=C\C(=O)O[C@H]5[C@]3([C@]6(CO6)[C@@H](C5)O2)C)C(=O)CO

  • Inchi: InChI=1S/C29H36O10/c1-17-6-9-27-15-35-24(33)12-18-7-10-36-28(25(18)34,19(31)14-30)8-4-3-5-23(32)39-20-13-22(38-21(27)11-17)29(16-37-29)26(20,27)2/h3,5,11-12,20-22,25,30,34H,4,6-10,13-16H2,1-2H3/b5-3-,18-12-/t20-,21-,22-,25-,26-,27-,28-,29+/m1/s1

  • Inchikey: NXTLPIJHYLFGEX-MBEOYMEXSA-N

  • 2D structure:

  • 3D structure:

Physico-chemical properties

  • Formula: C29H36O10

  • Molecular weight: 544.60

  • Monoisotopic mass: 544.23084734

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