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Dicerandrol c

  • Formula: C38H38O16

  • Molecular weight: 750.70

  • 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)COC(=O)C)O)OC2(C1OC(=O)C)COC(=O)C)O

  • Type: Xanthone

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Dicerandrol c

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

Names

  • Mycotoxin name: Dicerandrol c

  • First synonym: Dicerandrol c

  • Synonyms: Dicerandrol C,CHEBI:65766,(5R,5'R,6R,6'R,10aR,10a'R)-10a,10a'-bis[(acetyloxy)methyl]-1,1',8,8'-tetrahydroxy-6,6'-dimethyl-9,9'-dioxo-5,5',7,7',9,9',10a,10a'-octahydro-6H,6'H-2,2'-bixanthene-5,5'-diyl diacetate,Dicerandrols C,CHEMBL507894,Q27134253

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)COC(=O)C)O)OC2(C1OC(=O)C)COC(=O)C)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)COC(=O)C)O)O[C@@]2([C@@H]1OC(=O)C)COC(=O)C)O

  • Inchi: InChI=1S/C38H38O16/c1-15-11-23(43)29-33(47)27-25(53-37(29,13-49-17(3)39)35(15)51-19(5)41)9-7-21(31(27)45)22-8-10-26-28(32(22)46)34(48)30-24(44)12-16(2)36(52-20(6)42)38(30,54-26)14-50-18(4)40/h7-10,15-16,35-36,45-48H,11-14H2,1-6H3/t15-,16-,35-,36-,37+,38+/m1/s1

  • Inchikey: KYQPTDIMYDSMHS-ACMZUNAXSA-N

  • 2D structure:

  • 3D structure:

Physico-chemical properties

  • Formula: C38H38O16

  • Molecular weight: 750.70

  • Monoisotopic mass: 750.21598512

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