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Trichodermadiene

  • Formula: C23H30O5

  • Molecular weight: 386.50

  • Smiles: CC1C(O1)C=CC=CC(=O)OC2CC3C4(C2(C5(CCC(=CC5O3)C)C)C)CO4

  • Type: Trichothecene

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Trichodermadiene

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

  • Mycotoxin name: Trichodermadiene

  • First synonym: Trichodermadiene

  • Synonyms: Trichodermadiene

Identifiers / External links

Structure

  • Smiles: CC1C(O1)C=CC=CC(=O)OC2CC3C4(C2(C5(CCC(=CC5O3)C)C)C)CO4

  • Isomeric smiles: C[C@@H]1[C@H](O1)/C=C/C=C\C(=O)O[C@@H]2C[C@@H]3C4([C@]2([C@]5(CCC(=C[C@H]5O3)C)C)C)CO4

  • Inchi: InChI=1S/C23H30O5/c1-14-9-10-21(3)17(11-14)27-19-12-18(22(21,4)23(19)13-25-23)28-20(24)8-6-5-7-16-15(2)26-16/h5-8,11,15-19H,9-10,12-13H2,1-4H3/b7-5+,8-6-/t15-,16-,17-,18-,19-,21+,22-,23?/m1/s1

  • Inchikey: TWNZVTVBOFBEQD-RRVDUUMNSA-N

  • 2D structure:

  • 3D structure:

Physico-chemical properties

  • Formula: C23H30O5

  • Molecular weight: 386.50

  • Monoisotopic mass: 386.20932405

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