Xyloketal E

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Xyloketal E

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Structural Information

Physico-chemical Properties

ADME

Toxicity

Medical Chemistry

Fungi

Mycotoxin name: Xyloketal E
First synonym: None
Synonyms: Xyloketal E,(4R,7R,8R,15R,18R,19R)-12-((2R,4R)-2,4-dimethyloxolan-2-yl)-4,7,15,18-tetramethyl-3,5,14,16-tetraoxapentacyclo(11.7.0.02,10.04,8.015,19)icosa-1,10,12-trien-11-ol,(4R,7R,8R,15R,18R,19R)-12-[(2R,4R)-2,4-dimethyloxolan-2-yl]-4,7,15,18-tetramethyl-3,5,14,16-tetraoxapentacyclo[11.7.0.02,10.04,8.015,19]icosa-1,10,12-trien-11-ol,CHEBI:195291,(3R,3aR,7aR,10R,10aR,12aR)-6-[(2R,4R)-2,4-dimethyloxolan-2-yl]-3,7a,10,12a-tetramethyl-2,3,3a,9,10,10a,11,12a-octahydro-4H,7aH-difuro[3,2-e:3,2-e']benzo[1,2-b:5,6-b']dipyran-5-ol,(3R,3aR,7aR,10R,10aR,12aR)-6-[(2R,4R)-2,4-dimethyltetrahydrofuran-2-yl]-3,7a,10,12a-tetramethyl-2,3,3a,9,10,10a,11,12a-octahydro-4H,7aH-furo[2,3-b]furo[3',2':5,6]pyrano[2,3-f]chromen-5-ol

Smiles: CC1CC(OC1)(C)C2=C3C(=C4C(=C2O)CC5C(COC5(O4)C)C)CC6C(COC6(O3)C)C
Isomeric smiles: C[C@@H]1C[C@](OC1)(C)C2=C3C(=C4C(=C2O)C[C@@H]5[C@H](CO[C@@]5(O4)C)C)C[C@@H]6[C@H](CO[C@@]6(O3)C)C
Inchi: InChI=1S/C26H36O6/c1-13-9-24(4,28-10-13)20-21(27)16-7-18-14(2)11-29-25(18,5)31-22(16)17-8-19-15(3)12-30-26(19,6)32-23(17)20/h13-15,18-19,27H,7-12H2,1-6H3/t13-,14+,15+,18-,19-,24-,25-,26-/m1/s1
Inchikey: ZNYRREFJIKRTIT-LJJJLYAGSA-N

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