1.0 2010-04-08 22:10:52 UTC 2025-11-19 00:33:28 UTC FDB013733 4,15-Diacetoxyscirpen-3-ol Constituent of Fusarium subspecies Mycotoxin (3a,4b)-4,15-Diacetoxyscirpen-3-ol 4, 15-Diacetoxyscirpen-3-ol 4,15-Di-O-acetylscirpenol 4,15-Diacetoxyscirp-9-en-3-ol 4,15-Diacetoxyscirpen-3-ol 4,15-Diacetoxyscirpenol 4&alpha;-hydroxy-12,13-epoxytrichothec-9-ene 4alpha-Hydroxy-12,13-epoxytrichothec-9-ene ANG 66 Anguidin Anguidine Anguidine analog diacetoxyscirpenol Diacetoxyscirpenol Diazetoxyskirpenol NSC 141537 Scirp-9-ene-3alpha,4beta,15-triol, 4,15-diacetate Scirpenetriol 4,15-diacetate Trichothec-9-ene-3,4,15-triol, 12,13-epoxy-, 4,15-diacetate C19H26O7 366.4055 366.167853186 11'-(acetyloxy)-10'-hydroxy-1',5'-dimethyl-8'-oxaspiro[oxirane-2,12'-tricyclo[7.2.1.0²,⁷]dodecan]-5'-en-2'-ylmethyl acetate diacetoxyscirpenol 2270-40-8 CC(=O)OCC12CCC(C)=CC1OC1C(O)C(OC(C)=O)C2(C)C11CO1 InChI=1S/C19H26O7/c1-10-5-6-18(8-23-11(2)20)13(7-10)26-16-14(22)15(25-12(3)21)17(18,4)19(16)9-24-19/h7,13-16,22H,5-6,8-9H2,1-4H3 AUGQEEXBDZWUJY-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 Dicarboxylic acids and derivatives Epoxides Hydrocarbon derivatives Organic oxides Oxacyclic compounds Oxanes Oxepanes Secondary alcohols Alcohol Aliphatic heteropolycyclic compound Carbonyl group Carboxylic acid derivative Carboxylic acid ester Cyclic alcohol Dialkyl ether Dicarboxylic acid or derivatives Ether Hydrocarbon derivative Organic oxide Organic oxygen compound Organoheterocyclic compound Organooxygen compound Oxacycle Oxane Oxepane Oxirane Secondary alcohol Trichothecene skeleton logp 1.03 ALOGPS logs -2.55 ALOGPS solubility 1.03e+00 g/l ALOGPS melting_point Mp 161-162° logp 0.38 ChemAxon pka_strongest_acidic 13.07 ChemAxon pka_strongest_basic -3.6 ChemAxon iupac 11'-(acetyloxy)-10'-hydroxy-1',5'-dimethyl-8'-oxaspiro[oxirane-2,12'-tricyclo[7.2.1.0²,⁷]dodecan]-5'-en-2'-ylmethyl acetate ChemAxon average_mass 366.4055 ChemAxon mono_mass 366.167853186 ChemAxon smiles CC(=O)OCC12CCC(C)=CC1OC1C(O)C(OC(C)=O)C2(C)C11CO1 ChemAxon formula C19H26O7 ChemAxon inchi InChI=1S/C19H26O7/c1-10-5-6-18(8-23-11(2)20)13(7-10)26-16-14(22)15(25-12(3)21)17(18,4)19(16)9-24-19/h7,13-16,22H,5-6,8-9H2,1-4H3 ChemAxon inchikey AUGQEEXBDZWUJY-UHFFFAOYSA-N ChemAxon polar_surface_area 94.59 ChemAxon refractivity 89.1 ChemAxon polarizability 37.39 ChemAxon rotatable_bond_count 5 ChemAxon acceptor_count 5 ChemAxon donor_count 1 ChemAxon physiological_charge 0 ChemAxon formal_charge 0 ChemAxon Specdb::CMs 23569 Specdb::CMs 44190 Specdb::CMs 115968 Specdb::CMs 168413 Specdb::CMs 844498 Specdb::MsMs 12080 Specdb::MsMs 12081 Specdb::MsMs 12082 Specdb::MsMs 18752 Specdb::MsMs 18753 Specdb::MsMs 18754 Specdb::MsMs 2788804 Specdb::MsMs 2788805 Specdb::MsMs 2788806 Specdb::MsMs 2920426 Specdb::MsMs 2920427 Specdb::MsMs 2920428 HMDB35104 #<Reference:0x000055ce30600820>