1.0 2010-04-08 22:11:36 UTC 2025-11-19 00:51:45 UTC FDB015013 8-Acetyl-T2 tetrol Mycotoxin from Fusarium sporotrichioides 8-Acetyl-T2 tetrol C17H24O7 340.3683 340.152203122 10',11'-dihydroxy-2'-(hydroxymethyl)-1',5'-dimethyl-8'-oxaspiro[oxirane-2,12'-tricyclo[7.2.1.0²,⁷]dodecan]-5'-en-4'-yl acetate 10',11'-dihydroxy-2'-(hydroxymethyl)-1',5'-dimethyl-8'-oxaspiro[oxirane-2,12'-tricyclo[7.2.1.0²,⁷]dodecan]-5'-en-4'-yl acetate CC(=O)OC1CC2(CO)C(OC3C(O)C(O)C2(C)C32CO2)C=C1C InChI=1S/C17H24O7/c1-8-4-11-16(6-18,5-10(8)23-9(2)19)15(3)13(21)12(20)14(24-11)17(15)7-22-17/h4,10-14,18,20-21H,5-7H2,1-3H3 JEDSAONQRSEAMA-UHFFFAOYSA-N belongs to the class of organic compounds known as trichothecenes. These are sesquiterpene mycotoxins structurally characterized by the presence of an epoxide ring and a benzopyran derivative with a variant number of hydroxyl, acetyl, or other substituents. The most important structural features causing the biological activities of trichothecenes are the 12,13-epoxy ring, the presence of hydroxyl or acetyl groups at appropriate positions on the trichothecene nucleus and the structure and position of the side-chain. Trichothecenes Organic compounds Lipids and lipid-like molecules Prenol lipids Sesquiterpenoids Aliphatic heteropolycyclic compounds Carbonyl compounds Carboxylic acid esters Cyclic alcohols and derivatives Dialkyl ethers Epoxides Hydrocarbon derivatives Monocarboxylic acids and derivatives Organic oxides Oxacyclic compounds Oxanes Oxepanes Primary alcohols Secondary alcohols Alcohol Aliphatic heteropolycyclic compound Carbonyl group Carboxylic acid derivative Carboxylic acid ester Cyclic alcohol Dialkyl ether Ether Hydrocarbon derivative Monocarboxylic acid or derivatives Organic oxide Organic oxygen compound Organoheterocyclic compound Organooxygen compound Oxacycle Oxane Oxepane Oxirane Primary alcohol Secondary alcohol Trichothecene skeleton logp -0.35 ALOGPS logs -1.48 ALOGPS solubility 1.14e+01 g/l ALOGPS logp -1.3 ChemAxon pka_strongest_acidic 12.97 ChemAxon pka_strongest_basic -2.8 ChemAxon iupac 10',11'-dihydroxy-2'-(hydroxymethyl)-1',5'-dimethyl-8'-oxaspiro[oxirane-2,12'-tricyclo[7.2.1.0²,⁷]dodecan]-5'-en-4'-yl acetate ChemAxon average_mass 340.3683 ChemAxon mono_mass 340.152203122 ChemAxon smiles CC(=O)OC1CC2(CO)C(OC3C(O)C(O)C2(C)C32CO2)C=C1C ChemAxon formula C17H24O7 ChemAxon inchi InChI=1S/C17H24O7/c1-8-4-11-16(6-18,5-10(8)23-9(2)19)15(3)13(21)12(20)14(24-11)17(15)7-22-17/h4,10-14,18,20-21H,5-7H2,1-3H3 ChemAxon inchikey JEDSAONQRSEAMA-UHFFFAOYSA-N ChemAxon polar_surface_area 108.75 ChemAxon refractivity 81.46 ChemAxon polarizability 34.06 ChemAxon rotatable_bond_count 3 ChemAxon acceptor_count 6 ChemAxon donor_count 3 ChemAxon physiological_charge 0 ChemAxon formal_charge 0 ChemAxon Specdb::CMs 24814 Specdb::CMs 44759 Specdb::CMs 150018 Specdb::MsMs 46815 Specdb::MsMs 46816 Specdb::MsMs 46817 Specdb::MsMs 176502 Specdb::MsMs 176503 Specdb::MsMs 176504 Specdb::MsMs 2465172 Specdb::MsMs 2465173 Specdb::MsMs 2465174 Specdb::MsMs 2496467 Specdb::MsMs 2496468 Specdb::MsMs 2496469 Specdb::NmrOneD 134058 Specdb::NmrOneD 134059 Specdb::NmrOneD 134060 Specdb::NmrOneD 134061 Specdb::NmrOneD 134062 Specdb::NmrOneD 134063 Specdb::NmrOneD 134064 Specdb::NmrOneD 134065 Specdb::NmrOneD 134066 Specdb::NmrOneD 134067 Specdb::NmrOneD 134068 Specdb::NmrOneD 134069 Specdb::NmrOneD 134070 Specdb::NmrOneD 134071 Specdb::NmrOneD 134072 Specdb::NmrOneD 134073 Specdb::NmrOneD 134074 Specdb::NmrOneD 134075 Specdb::NmrOneD 134076 Specdb::NmrOneD 134077 HMDB36160 #<Reference:0x000055ce30732608>