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8-Hydroxycalonectrin

  • Formula: C19H26O7

  • Molecular weight: 366.40

  • Smiles: CC1=CC2C(CC1O)(C3(CC(C(C34CO4)O2)OC(=O)C)C)COC(=O)C

  • Type: Trichothecene

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8-Hydroxycalonectrin

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

Names

  • Mycotoxin name: 8-Hydroxycalonectrin

  • First synonym: None

  • Synonyms: 8-Hydroxycalonectrin,G68XES6P6Y,UNII-G68XES6P6Y,99494-92-5,Trichothec-9-ene-3,8,15-triol, 12,13-epoxy-, 3,15-diacetate, (3a,8a)-,TRICHOTHEC-9-ENE-3,8,15-TRIOL, 12,13-EPOXY-, 3,15-DIACETATE, (3.ALPHA.,8.ALPHA.)-,((1R,2R,4S,7R,9R,10R,12S)-10-acetyloxy-4-hydroxy-1,5-dimethylspiro(8-oxatricyclo(7.2.1.02,7)dodec-5-ene-12,2'-oxirane)-2-yl)methyl acetate,[(1R,2R,4S,7R,9R,10R,12S)-10-acetyloxy-4-hydroxy-1,5-dimethylspiro[8-oxatricyclo[7.2.1.02,7]dodec-5-ene-12,2'-oxirane]-2-yl]methyl acetate,Q27278830,TRICHOTHEC-9-ENE-3,8,15-TRIOL, 12,13-EPOXY-, 3,15-DIACETATE, (3ALPHA,8ALPHA)-

Identifiers / External links

Structure

  • Smiles: CC1=CC2C(CC1O)(C3(CC(C(C34CO4)O2)OC(=O)C)C)COC(=O)C

  • Isomeric smiles: CC1=C[C@@H]2[C@](C[C@@H]1O)([C@]3(C[C@H]([C@H]([C@@]34CO4)O2)OC(=O)C)C)COC(=O)C

  • Inchi: InChI=1S/C19H26O7/c1-10-5-15-18(6-13(10)22,8-23-11(2)20)17(4)7-14(25-12(3)21)16(26-15)19(17)9-24-19/h5,13-16,22H,6-9H2,1-4H3/t13-,14+,15+,16+,17+,18+,19-/m0/s1

  • Inchikey: OMBCNOXJYCTBAT-RBSDREOVSA-N

  • 2D structure:

  • 3D structure:

Physico-chemical properties

  • Formula: C19H26O7

  • Molecular weight: 366.40

  • Monoisotopic mass: 366.16785316

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