Xyloketal A

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Xyloketal A

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Structural Information

Physico-chemical Properties

ADME

Toxicity

Medical Chemistry

Fungi

Mycotoxin name: Xyloketal A
First synonym: None
Synonyms: Xyloketal A,(4R,7R,8R,13R,16R,17R,22R,25R,26R)-4,7,13,16,22,25-hexamethyl-3,5,12,14,21,23-hexaoxaheptacyclo[18.7.0.02,10.04,8.011,19.013,17.022,26]heptacosa-1,10,19-triene,(4R,7R,8R,13R,16R,17R,22R,25R,26R)-4,7,13,16,22,25-hexamethyl-3,5,12,14,21,23-hexaoxaheptacyclo(18.7.0.02,10.04,8.011,19.013,17.022,26)heptacosa-1,10,19-triene,(-)-xyloketal A,CHEMBL1171852,CHEBI:195288,(3R,3aR,5aR,8R,8aR,10aR,13R,13aR,15aR)-3,5a,8,10a,13,15a-hexamethyl-2,3,3a,7,8,8a,9,12,13,13a,14,15a-dodecahydro-4H,5aH,10aH-furo[2,3-b]bisfuro[3',2':5,6]pyrano[2,3-f:2',3'-h]chromene,(3R,3aR,5aR,8R,8aR,10aR,13R,13aR,15aR)-3,5a,8,10a,13,15a-hexamethyl-2,3,3a,7,8,8a,9,12,13,13a,14,15a-dodecahydro-4H,5aH,10aH-trifuro[3,2-e:3,2-e':3,2-e'']benzo[1,6-b:3,2-b':5,4-b'']tripyran

Smiles: CC1COC2(C1CC3=C4C(=C5C(=C3O2)CC6C(COC6(O5)C)C)CC7C(COC7(O4)C)C)C
Isomeric smiles: C[C@H]1CO[C@]2([C@@H]1CC3=C4C(=C5C(=C3O2)C[C@@H]6[C@H](CO[C@@]6(O5)C)C)C[C@@H]7[C@H](CO[C@@]7(O4)C)C)C
Inchi: InChI=1S/C27H36O6/c1-13-10-28-25(4)19(13)7-16-22(31-25)17-8-20-14(2)12-30-27(20,6)33-24(17)18-9-21-15(3)11-29-26(21,5)32-23(16)18/h13-15,19-21H,7-12H2,1-6H3/t13-,14-,15-,19+,20+,21+,25+,26+,27+/m0/s1
Inchikey: HFZTVRRNBDAJIS-PERNPGNGSA-N

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