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Secalonic acid G

  • Formula: C32H30O14

  • Molecular weight: 638.60

  • Smiles: CC1CC(=O)C2=C(C3=C(C=CC(=C3O)C4=C(C5=C(C=C4)OC6(C(C(CC(=O)C6=C5O)C)O)C(=O)OC)O)OC2(C1O)C(=O)OC)O

  • Type: Xanthone dimer

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Secalonic acid G

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

Names

  • Mycotoxin name: Secalonic acid G

  • First synonym: None

  • Synonyms: Secalonic acid G,UNII-5U8T09703J,70223-89-1,5U8T09703J,(7,7'-Bi-4ah-xanthene)-4a,4'a-dicarboxylic acid, 2,2',3,3',4,4',9,9'-octahydro-1,1',4,4',8,8'-hexahydroxy-3,3'-dimethyl-9,9'-dioxo-, dimethyl ester, (3R-(3alpha,4alpha,4abeta,7(3'R*,4'S*,4'aS*)))-,Q27262877,(7,7'-BI-4AH-XANTHENE)-4A,4'A-DICARBOXYLIC ACID, 2,2',3,3',4,4',9,9'-OCTAHYDRO-1,1',4,4',8,8'-HEXAHYDROXY-3,3'-DIMETHYL-9,9'-DIOXO-, DIMETHYL ESTER, (3R-(3.ALPHA.,4.ALPHA.,4A.BETA.,7(3'R*,4'S*,4'AS*)))-

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)O)C(=O)OC)O)OC2(C1O)C(=O)OC)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)O)C(=O)OC)O)O[C@@]2([C@@H]1O)C(=O)OC)O

  • Inchi: InChI=1S/C32H30O14/c1-11-9-15(33)21-25(37)19-17(45-31(21,27(11)39)29(41)43-3)7-5-13(23(19)35)14-6-8-18-20(24(14)36)26(38)22-16(34)10-12(2)28(40)32(22,46-18)30(42)44-4/h5-8,11-12,27-28,35-40H,9-10H2,1-4H3/t11-,12-,27-,28+,31+,32+/m1/s1

  • Inchikey: NFZJAYYORNVZNI-ZYTUNARQSA-N

  • 2D structure:

  • 3D structure:

Physico-chemical properties

  • Formula: C32H30O14

  • Molecular weight: 638.60

  • Monoisotopic mass: 638.16355563

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