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Andrastin G

  • Formula: C28H38O8

  • Molecular weight: 502.60

  • Smiles: CC1=C(C2(C(=C)C(C3C(C2(C1=O)C(=O)OC)(CCC4C3(CCC(C4(C)C)OC(=O)C)C=O)C)O)C)O

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Andrastin G

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

  • Mycotoxin name: Andrastin G

  • First synonym: None

  • Synonyms: Andrastin G

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Structure

  • Smiles: CC1=C(C2(C(=C)C(C3C(C2(C1=O)C(=O)OC)(CCC4C3(CCC(C4(C)C)OC(=O)C)C=O)C)O)C)O

  • Isomeric smiles: CC1=C([C@]2(C(=C)[C@H]([C@@H]3[C@@]([C@]2(C1=O)C(=O)OC)(CC[C@H]4[C@]3(CC[C@@H](C4(C)C)OC(=O)C)C=O)C)O)C)O

  • Inchi: InChI=1S/C28H38O8/c1-14-21(32)26(7)15(2)19(31)20-25(6,28(26,22(14)33)23(34)35-8)11-9-17-24(4,5)18(36-16(3)30)10-12-27(17,20)13-29/h13,17-20,31-32H,2,9-12H2,1,3-8H3/t17-,18+,19-,20-,25+,26-,27+,28+/m1/s1

  • Inchikey: VLIJSOOZJMWODI-AHIHPHIDSA-N

  • 2D structure:

  • 3D structure:

Physico-chemical properties

  • Formula: C28H38O8

  • Molecular weight: 502.60

  • Monoisotopic mass: 502.25666817

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