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15-Deacetylcalonectrin

  • Formula: C17H24O5

  • Molecular weight: 308.40

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

  • Type: Trichothecene

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15-Deacetylcalonectrin

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

Names

  • Mycotoxin name: 15-Deacetylcalonectrin

  • First synonym: None

  • Synonyms: 15-Deacetylcalonectrin,15-decalonectrin,15-Desacetylcalonectrin,UNII-95N97KTI8K,95N97KTI8K,38818-66-5,(3alpha)-12,13-Epoxytrichothec-9-ene-3,15-diol 3-acetate,DTXSID40192079,J91.943H,15-O-deacetylcalonectrin,Trichothec-9-ene-3,15-diol, 12,13-epoxy-, 3-acetate, (3alpha)-,(3alpha)-15-hydroxy-12,13-epoxytrichothec-9-en-3-yl acetate,12,13-EPOXYTRICHOTHEC-9-ENE-3.ALPHA.,15-DIOL 3-ACETATE,3.ALPHA.-ACETOXY-15-HYDROXY-12,13-EPOXYTRICHOTHECA-9-ENE,15-Deacetycalonectrin,Trichothec-9-ene-3,15-diol, 12,13-epoxy-, 3-acetate, (3.alpha.)-,((1R,2R,7R,9R,10R,12S)-2-(hydroxymethyl)-1,5-dimethylspiro(8-oxatricyclo(7.2.1.02,7)dodec-5-ene-12,2'-oxirane)-10-yl) acetate,(1'r,2S,2'r,7'r,9'r,10'r)-2'-(Hydroxymethyl)-1',5'-dimethyl-8'-oxaspiro(oxirane-2,12'-tricyclo(7.2.1.0,)dodecan)-5'-en-10'-yl acetic acid,(1'r,2S,2'r,7'r,9'r,10'r)-2'-(Hydroxymethyl)-1',5'-dimethyl-8'-oxaspiro[oxirane-2,12'-tricyclo[7.2.1.0,]dodecan]-5'-en-10'-yl acetic acid,[(1R,2R,7R,9R,10R,12S)-2-(hydroxymethyl)-1,5-dimethylspiro[8-oxatricyclo[7.2.1.02,7]dodec-5-ene-12,2'-oxirane]-10-yl] acetate,2'-(hydroxymethyl)-1',5'-dimethyl-8'-oxaspiro(oxirane-2,12'-tricyclo(7.2.1.02,7)dodecan)-5'-en-10'-yl acetate,2'-(hydroxymethyl)-1',5'-dimethyl-8'-oxaspiro[oxirane-2,12'-tricyclo[7.2.1.02,7]dodecan]-5'-en-10'-yl acetate,DTXCID00114570,CHEBI:157609,Spiro(2,5-methano-1-benzoxepin-10,2'-oxirane), trichothec-9-ene-3,15-diol deriv.,Spiro[2,5-methano-1-benzoxepin-10,2'-oxirane], trichothec-9-ene-3,15-diol deriv.,Q27271802,12,13-EPOXYTRICHOTHEC-9-ENE-3ALPHA,15-DIOL 3-ACETATE,3ALPHA-ACETOXY-15-HYDROXY-12,13-EPOXYTRICHOTHECA-9-ENE,FP0

Identifiers / External links

Structure

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

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

  • Inchi: InChI=1S/C17H24O5/c1-10-4-5-16(8-18)13(6-10)22-14-12(21-11(2)19)7-15(16,3)17(14)9-20-17/h6,12-14,18H,4-5,7-9H2,1-3H3/t12-,13-,14-,15-,16-,17+/m1/s1

  • Inchikey: DFPPNUOWRKIOKO-KWRZAIAESA-N

  • 2D structure:

  • 3D structure:

Physico-chemical properties

  • Formula: C17H24O5

  • Molecular weight: 308.40

  • Monoisotopic mass: 308.16237386

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Fungi

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