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12,13-epoxytrichothec-9-ene

  • Formula: C15H22O2

  • Molecular weight: 234.33

  • Smiles: CC1=CC2C(CC1)(C3(CCC(C34CO4)O2)C)C

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12,13-epoxytrichothec-9-ene

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

  • Mycotoxin name: 12,13-epoxytrichothec-9-ene

  • First synonym: 12,13-epoxytrichothec-9-ene

  • Synonyms: 12,13-Epoxytrichothec-9-ene,UNII-2VT926P95A,37133-74-7,2VT926P95A,(1R,2R,7R,9R,12S)-1,2,5-trimethylspiro[8-oxatricyclo[7.2.1.02,7]dodec-5-ene-12,2'-oxirane],Scirpene,(+/-)-Scirpene,SCHEMBL258589,DTXSID80958338,Trichothec-9-ene, 12,13-epoxy-,(+/-)-12,13-Epoxytrichothec-9-ene,(11beta)-12,13-epoxytrichothec-9-ene,12,13-Epoxytrichothec-9-ene, (+/-)-,Trichothec-9-ene, 12,13-epoxy-, (+/-)-,Q27255666,UNII-QIQ1F6SUZ5 component LZAJKCZTKKKZNT-QMIVOQANSA-N,Spiro(2,5-methano-1-benzoxepin-10,2'-oxirane), trichothec-9-ene deriv.,54713-65-4,7E0,Spiro(2,5-methano-1-benzoxepin-10,2'-oxirane), 2,3,4,5,5a,6,7,9a-octahydro-5,5a,8-trimethyl-, (2R,2'S,5R,5aR,9aR)-rel-

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Structure

  • Smiles: CC1=CC2C(CC1)(C3(CCC(C34CO4)O2)C)C

  • Isomeric smiles: CC1=C[C@@H]2[C@](CC1)([C@]3(CC[C@H]([C@@]34CO4)O2)C)C

  • Inchi: InChI=1S/C15H22O2/c1-10-4-6-13(2)12(8-10)17-11-5-7-14(13,3)15(11)9-16-15/h8,11-12H,4-7,9H2,1-3H3/t11-,12-,13+,14-,15+/m1/s1

  • Inchikey: LZAJKCZTKKKZNT-QMIVOQANSA-N

  • 2D structure:

  • 3D structure:

Physico-chemical properties

  • Formula: C15H22O2

  • Molecular weight: 234.33

  • Monoisotopic mass: 234.16197994

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