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Rugulotrosin a

  • Formula: C32H30O14

  • Molecular weight: 638.60

  • Smiles: CC1=CC2=C(C(=C1C3=C(C4=C(C=C3C)OC5(C(CCC(=O)C5=C4O)O)C(=O)OC)O)O)C(=C6C(=O)CCC(C6(O2)C(=O)OC)O)O

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Rugulotrosin a

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

Names

  • Mycotoxin name: Rugulotrosin a

  • First synonym: Rugulotrosin a

  • Synonyms: rugulotrosin A,685135-81-3,(4R,4'R,4aR,4'aR,7R)-rel-2,2',3,3',4,4',9,9'-octahydro-1,1',4,4',8,8'-hexahydroxy-6,6'-dimethyl-9,9'-dioxo-[7,7'-bi-4aH-xanthene]-4a,4'a-dicarboxylic acid dimethyl ester,Methyl 4,8,9-trihydroxy-6-methyl-1-oxo-7-(1,5,9-trihydroxy-10a-methoxycarbonyl-3-methyl-8-oxo-6,7-dihydro-5H-xanthen-2-yl)-3,4-dihydro-2H-xanthene-4a-carboxylate

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Structure

  • Smiles: CC1=CC2=C(C(=C1C3=C(C4=C(C=C3C)OC5(C(CCC(=O)C5=C4O)O)C(=O)OC)O)O)C(=C6C(=O)CCC(C6(O2)C(=O)OC)O)O

  • Isomeric smiles: CC1=CC2=C(C(=C1C3=C(C4=C(C=C3C)OC5(C(CCC(=O)C5=C4O)O)C(=O)OC)O)O)C(=C6C(=O)CCC(C6(O2)C(=O)OC)O)O

  • Inchi: InChI=1S/C32H30O14/c1-11-9-15-21(27(39)23-13(33)5-7-17(35)31(23,45-15)29(41)43-3)25(37)19(11)20-12(2)10-16-22(26(20)38)28(40)24-14(34)6-8-18(36)32(24,46-16)30(42)44-4/h9-10,17-18,35-40H,5-8H2,1-4H3

  • Inchikey: FCBFXINPLHGRFE-UHFFFAOYSA-N

  • 2D structure:

  • 3D structure:

Physico-chemical properties

  • Formula: C32H30O14

  • Molecular weight: 638.60

  • Monoisotopic mass: 638.16355563

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