1.0 2010-04-08 22:11:53 UTC 2025-11-19 00:55:45 UTC FDB015515 T2 Toxin Isolated from Fusarium subspecies and Trichoderma lignorum. Important mycotoxin occurring naturally in various agricultural products 8-(3-Methylbutyryloxy)-diacetoxy-scirpenol 8-(3-Methylbutyryloxy)diacetoxyscirpenol Epoxytrichothecene Fusariotoxin T 2 Fusariotoxin T2 Insariotoxin Mycotoxin T2 Neosolaniol 8-(3-methylbutanoate) Scirpenol, 8-(3-methylbutyryloxy)-diacetoxy- T 2 Toxin T-2 mycotoxin T-2 toxin T2 Toxin Toxin T 2 C24H34O9 466.5214 466.220282686 11'-(acetyloxy)-2'-[(acetyloxy)methyl]-10'-hydroxy-1',5'-dimethyl-8'-oxaspiro[oxirane-2,12'-tricyclo[7.2.1.0²,⁷]dodecan]-5'-en-4'-yl 3-methylbutanoate T-2 toxin 21259-20-1 CC(C)CC(=O)OC1CC2(COC(C)=O)C(OC3C(O)C(OC(C)=O)C2(C)C32CO2)C=C1C InChI=1S/C24H34O9/c1-12(2)7-18(27)32-16-9-23(10-29-14(4)25)17(8-13(16)3)33-21-19(28)20(31-15(5)26)22(23,6)24(21)11-30-24/h8,12,16-17,19-21,28H,7,9-11H2,1-6H3 BXFOFFBJRFZBQZ-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 Fatty acid esters Hydrocarbon derivatives Organic oxides Oxacyclic compounds Oxanes Oxepanes Secondary alcohols Tricarboxylic acids and derivatives Alcohol Aliphatic heteropolycyclic compound Carbonyl group Carboxylic acid derivative Carboxylic acid ester Cyclic alcohol Dialkyl ether Ether Fatty acid ester Fatty acyl Hydrocarbon derivative Organic oxide Organic oxygen compound Organoheterocyclic compound Organooxygen compound Oxacycle Oxane Oxepane Oxirane Secondary alcohol Tricarboxylic acid or derivatives Trichothecene skeleton logp 1.95 ALOGPS logs -3.13 ALOGPS solubility 3.47e-01 g/l ALOGPS melting_point Mp 151-152° logp 1.02 ChemAxon pka_strongest_acidic 13.07 ChemAxon pka_strongest_basic -3.6 ChemAxon iupac 11'-(acetyloxy)-2'-[(acetyloxy)methyl]-10'-hydroxy-1',5'-dimethyl-8'-oxaspiro[oxirane-2,12'-tricyclo[7.2.1.0²,⁷]dodecan]-5'-en-4'-yl 3-methylbutanoate ChemAxon average_mass 466.5214 ChemAxon mono_mass 466.220282686 ChemAxon smiles CC(C)CC(=O)OC1CC2(COC(C)=O)C(OC3C(O)C(OC(C)=O)C2(C)C32CO2)C=C1C ChemAxon formula C24H34O9 ChemAxon inchi InChI=1S/C24H34O9/c1-12(2)7-18(27)32-16-9-23(10-29-14(4)25)17(8-13(16)3)33-21-19(28)20(31-15(5)26)22(23,6)24(21)11-30-24/h8,12,16-17,19-21,28H,7,9-11H2,1-6H3 ChemAxon inchikey BXFOFFBJRFZBQZ-UHFFFAOYSA-N ChemAxon polar_surface_area 120.89 ChemAxon refractivity 113.54 ChemAxon polarizability 48.11 ChemAxon rotatable_bond_count 9 ChemAxon acceptor_count 6 ChemAxon donor_count 1 ChemAxon physiological_charge 0 ChemAxon formal_charge 0 ChemAxon Specdb::CMs 26074 Specdb::CMs 44922 Specdb::CMs 120489 Specdb::CMs 121396 Specdb::CMs 156615 Specdb::CMs 915879 Specdb::MsMs 47559 Specdb::MsMs 47560 Specdb::MsMs 47561 Specdb::MsMs 115797 Specdb::MsMs 115798 Specdb::MsMs 115799 Specdb::MsMs 2310171 Specdb::MsMs 2310172 Specdb::MsMs 2310173 Specdb::MsMs 2655824 Specdb::MsMs 2655825 Specdb::MsMs 2655826 HMDB36600 #<Reference:0x000055ce3299ea70>