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Terreulactone a

  • Formula: C28H30O9

  • Molecular weight: 510.50

  • Smiles: CC1(C23CCC4(C(C2(C(=O)C1(C(=O)O3)OC)C)(CC5=C(O4)C=C(OC5=O)C6=CC=C(C=C6)OC)O)C)C

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Terreulactone a

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

Names

  • Mycotoxin name: Terreulactone a

  • First synonym: Terreulactone a

  • Synonyms: TERREULACTONE A,CHEMBL183507,BDBM50157912,Q15427889,13-hydroxy-16-methoxy-8-(4-methoxyphenyl)-4,14,19,19-tetramethyl-5,9,18-trioxapentacyclo[14.2.1.01,14.04,13.06,11]nonadeca-6(11),7-diene-10,15,17-trione

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Structure

  • Smiles: CC1(C23CCC4(C(C2(C(=O)C1(C(=O)O3)OC)C)(CC5=C(O4)C=C(OC5=O)C6=CC=C(C=C6)OC)O)C)C

  • Isomeric smiles: C[C@@]12CC[C@]34[C@@]([C@]1(CC5=C(O2)C=C(OC5=O)C6=CC=C(C=C6)OC)O)(C(=O)[C@](C3(C)C)(C(=O)O4)OC)C

  • Inchi: InChI=1S/C28H30O9/c1-23(2)27-12-11-24(3)26(32,25(27,4)21(30)28(23,34-6)22(31)37-27)14-17-19(36-24)13-18(35-20(17)29)15-7-9-16(33-5)10-8-15/h7-10,13,32H,11-12,14H2,1-6H3/t24-,25-,26-,27-,28-/m1/s1

  • Inchikey: AOFMVUCAUSHJLI-JQPIIJRMSA-N

  • 2D structure:

  • 3D structure:

Physico-chemical properties

  • Formula: C28H30O9

  • Molecular weight: 510.50

  • Monoisotopic mass: 510.18898253

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