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12,13-Deoxytrichodermadiene

  • Formula: C23H30O4

  • Molecular weight: 370.50

  • Smiles: CC1C(O1)C=CC=CC(=O)OC2CC3C(=C)C2(C4(CCC(=CC4O3)C)C)C

  • Type: Trichothecene

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12,13-Deoxytrichodermadiene

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

Names

  • Mycotoxin name: 12,13-Deoxytrichodermadiene

  • First synonym: None

  • Synonyms: 12,13-Deoxytrichodermadiene,[(1S,2R,7R,9R,11R)-1,2,5-trimethyl-12-methylidene-8-oxatricyclo[7.2.1.02,7]dodec-5-en-11-yl] (2Z,4E)-5-[(2R,3R)-3-methyloxiran-2-yl]penta-2,4-dienoate,((1S,2R,7R,9R,11R)-1,2,5-trimethyl-12-methylidene-8-oxatricyclo(7.2.1.02,7)dodec-5-en-11-yl) (2Z,4E)-5-((2R,3R)-3-methyloxiran-2-yl)penta-2,4-dienoate,CHEBI:227740

Identifiers / External links

Structure

  • Smiles: CC1C(O1)C=CC=CC(=O)OC2CC3C(=C)C2(C4(CCC(=CC4O3)C)C)C

  • Isomeric smiles: C[C@@H]1[C@H](O1)/C=C/C=C\C(=O)O[C@@H]2C[C@@H]3C(=C)[C@]2([C@]4(CCC(=C[C@H]4O3)C)C)C

  • Inchi: InChI=1S/C23H30O4/c1-14-10-11-22(4)19(12-14)26-18-13-20(23(22,5)15(18)2)27-21(24)9-7-6-8-17-16(3)25-17/h6-9,12,16-20H,2,10-11,13H2,1,3-5H3/b8-6+,9-7-/t16-,17-,18-,19-,20-,22+,23-/m1/s1

  • Inchikey: XGEYKPJYISPKED-YSLZVJMJSA-N

  • 2D structure:

  • 3D structure:

Physico-chemical properties

  • Formula: C23H30O4

  • Molecular weight: 370.50

  • Monoisotopic mass: 370.21440943

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