1.0 2010-04-08 22:10:31 UTC 2025-11-18 23:41:13 UTC FDB013088 3'-Hydroxy-T2-triol Mycotoxin production by Fusarium heterosporum 3'-Hydroxy-T2-triol C20H30O8 398.4474 398.194067936 10',11'-dihydroxy-2'-(hydroxymethyl)-1',5'-dimethyl-8'-oxaspiro[oxirane-2,12'-tricyclo[7.2.1.0²,⁷]dodecan]-5'-en-4'-yl 3-hydroxy-3-methylbutanoate 10',11'-dihydroxy-2'-(hydroxymethyl)-1',5'-dimethyl-8'-oxaspiro[oxirane-2,12'-tricyclo[7.2.1.0²,⁷]dodecan]-5'-en-4'-yl 3-hydroxy-3-methylbutanoate 79-01-6 CC1=CC2OC3C(O)C(O)C(C)(C33CO3)C2(CO)CC1OC(=O)CC(C)(C)O InChI=1S/C20H30O8/c1-10-5-12-19(8-21,6-11(10)27-13(22)7-17(2,3)25)18(4)15(24)14(23)16(28-12)20(18)9-26-20/h5,11-12,14-16,21,23-25H,6-9H2,1-4H3 FVUXHXRZJMFQJL-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 Monocarboxylic acids and derivatives Organic oxides Oxacyclic compounds Oxanes Oxepanes Primary alcohols Secondary alcohols Tertiary alcohols Alcohol Aliphatic heteropolycyclic compound Carbonyl group Carboxylic acid derivative Carboxylic acid ester Cyclic alcohol Dialkyl ether Ether Fatty acid ester Fatty acyl Hydrocarbon derivative Monocarboxylic acid or derivatives Organic oxide Organic oxygen compound Organoheterocyclic compound Organooxygen compound Oxacycle Oxane Oxepane Oxirane Primary alcohol Secondary alcohol Tertiary alcohol Trichothecene skeleton logp -0.34 ALOGPS logs -2.04 ALOGPS solubility 3.64e+00 g/l ALOGPS logp -1.2 ChemAxon pka_strongest_acidic 12.97 ChemAxon pka_strongest_basic -2.7 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 3-hydroxy-3-methylbutanoate ChemAxon average_mass 398.4474 ChemAxon mono_mass 398.194067936 ChemAxon smiles CC1=CC2OC3C(O)C(O)C(C)(C33CO3)C2(CO)CC1OC(=O)CC(C)(C)O ChemAxon formula C20H30O8 ChemAxon inchi InChI=1S/C20H30O8/c1-10-5-12-19(8-21,6-11(10)27-13(22)7-17(2,3)25)18(4)15(24)14(23)16(28-12)20(18)9-26-20/h5,11-12,14-16,21,23-25H,6-9H2,1-4H3 ChemAxon inchikey FVUXHXRZJMFQJL-UHFFFAOYSA-N ChemAxon polar_surface_area 128.98 ChemAxon refractivity 96.92 ChemAxon polarizability 40.83 ChemAxon rotatable_bond_count 5 ChemAxon acceptor_count 7 ChemAxon donor_count 4 ChemAxon physiological_charge 0 ChemAxon formal_charge 0 ChemAxon Specdb::CMs 11848 Specdb::CMs 43937 Specdb::CMs 163689 Specdb::MsMs 74433 Specdb::MsMs 74434 Specdb::MsMs 74435 Specdb::MsMs 133818 Specdb::MsMs 133819 Specdb::MsMs 133820 Specdb::MsMs 2740231 Specdb::MsMs 2740232 Specdb::MsMs 2740233 Specdb::MsMs 2939232 Specdb::MsMs 2939233 Specdb::MsMs 2939234 Specdb::NmrOneD 126698 Specdb::NmrOneD 126699 Specdb::NmrOneD 126700 Specdb::NmrOneD 126701 Specdb::NmrOneD 126702 Specdb::NmrOneD 126703 Specdb::NmrOneD 126704 Specdb::NmrOneD 126705 Specdb::NmrOneD 126706 Specdb::NmrOneD 126707 Specdb::NmrOneD 126708 Specdb::NmrOneD 126709 Specdb::NmrOneD 126710 Specdb::NmrOneD 126711 Specdb::NmrOneD 126712 Specdb::NmrOneD 126713 Specdb::NmrOneD 126714 Specdb::NmrOneD 126715 Specdb::NmrOneD 126716 Specdb::NmrOneD 126717 HMDB34575