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(2'E)-2',3'-Didehydro-2'-deoxy-13'-hydroxyverrucarin A

  • Formula: C27H32O9

  • Molecular weight: 500.50

  • Smiles: CC1=CC2C3(CC1)COC(=O)C=C(CCOC(=O)C=CC=CC(=O)OC4C3(C5(CO5)C(C4)O2)C)CO

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(2'E)-2',3'-Didehydro-2'-deoxy-13'-hydroxyverrucarin A

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

  • Mycotoxin name: (2'E)-2',3'-Didehydro-2'-deoxy-13'-hydroxyverrucarin A

  • First synonym: None

  • Synonyms: Z5VR19PDMO,13'-hydroxyverrucarin j,UNII-Z5VR19PDMO,PD 113325,PD-113325,Verrucarin A, 2',3'-didehydro-2'-deoxy-13'-hydroxy-, (2'E)-,PD 113,325,90297-50-0,ANTIBIOTIC PD-113325,J168.840E,PD-113,325,Q27295038,(2'E)-2',3'-DIDEHYDRO-2'-DEOXY-13'-HYDROXYVERRUCARIN A

Identifiers / External links

Structure

  • Smiles: CC1=CC2C3(CC1)COC(=O)C=C(CCOC(=O)C=CC=CC(=O)OC4C3(C5(CO5)C(C4)O2)C)CO

  • Isomeric smiles: CC1=C[C@@H]2[C@@]3(CC1)COC(=O)/C=C(\CCOC(=O)/C=C/C=C/C(=O)O[C@H]4[C@]3([C@]5(CO5)[C@@H](C4)O2)C)/CO

  • Inchi: InChI=1S/C27H32O9/c1-17-7-9-26-15-33-24(31)12-18(14-28)8-10-32-22(29)5-3-4-6-23(30)36-19-13-21(35-20(26)11-17)27(16-34-27)25(19,26)2/h3-6,11-12,19-21,28H,7-10,13-16H2,1-2H3/b5-3+,6-4+,18-12+/t19-,20-,21-,25-,26-,27+/m1/s1

  • Inchikey: OQVXFAVSMVQTMH-ADXYGMRYSA-N

  • 2D structure:

  • 3D structure:

Physico-chemical properties

  • Formula: C27H32O9

  • Molecular weight: 500.50

  • Monoisotopic mass: 500.20463259

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