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Dicerandrol a

  • Formula: C34H34O14

  • Molecular weight: 666.60

  • Smiles: CC1CC(=O)C2=C(C3=C(C=CC(=C3O)C4=C(C5=C(C=C4)OC6(C(C(CC(=O)C6=C5O)C)OC(=O)C)CO)O)OC2(C1OC(=O)C)CO)O

  • Type: Xanthone

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Dicerandrol a

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

Names

  • Mycotoxin name: Dicerandrol a

  • First synonym: Dicerandrol a

  • Synonyms: Dicerandrol A,CHEBI:65764,(5R,5'R,6R,6'R,10aR,10a'R)-1,1',8,8'-tetrahydroxy-10a,10a'-bis(hydroxymethyl)-6,6'-dimethyl-9,9'-dioxo-5,5',7,7',9,9',10a,10a'-octahydro-6H,6'H-2,2'-bixanthene-5,5'-diyldiacetate,CHEMBL460126,Q27134250

Identifiers / External links

Structure

  • Smiles: CC1CC(=O)C2=C(C3=C(C=CC(=C3O)C4=C(C5=C(C=C4)OC6(C(C(CC(=O)C6=C5O)C)OC(=O)C)CO)O)OC2(C1OC(=O)C)CO)O

  • Isomeric smiles: C[C@@H]1CC(=O)C2=C(C3=C(C=CC(=C3O)C4=C(C5=C(C=C4)O[C@@]6([C@@H]([C@@H](CC(=O)C6=C5O)C)OC(=O)C)CO)O)O[C@@]2([C@@H]1OC(=O)C)CO)O

  • Inchi: InChI=1S/C34H34O14/c1-13-9-19(39)25-29(43)23-21(47-33(25,11-35)31(13)45-15(3)37)7-5-17(27(23)41)18-6-8-22-24(28(18)42)30(44)26-20(40)10-14(2)32(46-16(4)38)34(26,12-36)48-22/h5-8,13-14,31-32,35-36,41-44H,9-12H2,1-4H3/t13-,14-,31-,32-,33+,34+/m1/s1

  • Inchikey: KMPJMYCHERZRLM-FNCICBJWSA-N

  • 2D structure:

  • 3D structure:

Physico-chemical properties

  • Formula: C34H34O14

  • Molecular weight: 666.60

  • Monoisotopic mass: 666.19485575

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