1.0 2010-04-08 22:04:54 UTC 2015-07-20 21:39:26 UTC FDB001294 Austalide B Mycotoxin of. of the food storage mould Aspergillus ustus C26H34O8 474.5434 474.225368064 2-hydroxy-13,20-dimethoxy-4,7,17,22,22-pentamethyl-5,10,21,23-tetraoxahexacyclo[18.2.1.0¹,¹⁷.0⁴,¹⁶.0⁶,¹⁴.0⁸,¹²]tricosa-6(14),7,12-trien-11-one 2-hydroxy-13,20-dimethoxy-4,7,17,22,22-pentamethyl-5,10,21,23-tetraoxahexacyclo[18.2.1.0¹,¹⁷.0⁴,¹⁶.0⁶,¹⁴.0⁸,¹²]tricosa-6(14),7,12-trien-11-one 81543-02-4 COC1=C2C(=O)OCC2=C(C)C2=C1CC1C(C)(CC(O)C34OC(CCC13C)(OC)OC4(C)C)O2 InChI=1S/C26H34O8/c1-13-15-12-31-21(28)18(15)20(29-6)14-10-16-23(4)8-9-25(30-7)33-22(2,3)26(23,34-25)17(27)11-24(16,5)32-19(13)14/h16-17,27H,8-12H2,1-7H3 ZVFMDVFPBVFGPG-UHFFFAOYSA-N belongs to the class of organic compounds known as xanthenes. These are polycyclic aromatic compounds containing a xanthene moiety, which consists of two benzene rings joined to each other by a pyran ring. Xanthenes Organic compounds Organoheterocyclic compounds Benzopyrans 1-benzopyrans Aromatic heteropolycyclic compounds 1,3-dioxolanes Alkyl aryl ethers Anisoles Carboxylic acid esters Carboxylic acid orthoesters Cyclic alcohols and derivatives Hydrocarbon derivatives Lactones Monocarboxylic acids and derivatives Organic oxides Ortho esters Oxacyclic compounds Oxanes Oxepanes Phthalides Secondary alcohols Alcohol Alkyl aryl ether Anisole Aromatic heteropolycyclic compound Benzenoid Carboxylic acid derivative Carboxylic acid ester Carboxylic acid orthoester Cyclic alcohol Ether Hydrocarbon derivative Isobenzofuranone Isocoumaran Lactone Meta-dioxolane Monocarboxylic acid or derivatives Organic oxide Organic oxygen compound Organooxygen compound Ortho ester Orthocarboxylic acid derivative Oxacycle Oxane Oxepane Phthalide Secondary alcohol Xanthene logp 2.98 ALOGPS logs -4.48 ALOGPS solubility 1.58e-02 g/l ALOGPS melting_point Mp 243-245° logp 3.57 ChemAxon pka_strongest_acidic 13.77 ChemAxon pka_strongest_basic -3.3 ChemAxon iupac 2-hydroxy-13,20-dimethoxy-4,7,17,22,22-pentamethyl-5,10,21,23-tetraoxahexacyclo[18.2.1.0¹,¹⁷.0⁴,¹⁶.0⁶,¹⁴.0⁸,¹²]tricosa-6(14),7,12-trien-11-one ChemAxon average_mass 474.5434 ChemAxon mono_mass 474.225368064 ChemAxon smiles COC1=C2C(=O)OCC2=C(C)C2=C1CC1C(C)(CC(O)C34OC(CCC13C)(OC)OC4(C)C)O2 ChemAxon formula C26H34O8 ChemAxon inchi InChI=1S/C26H34O8/c1-13-15-12-31-21(28)18(15)20(29-6)14-10-16-23(4)8-9-25(30-7)33-22(2,3)26(23,34-25)17(27)11-24(16,5)32-19(13)14/h16-17,27H,8-12H2,1-7H3 ChemAxon inchikey ZVFMDVFPBVFGPG-UHFFFAOYSA-N ChemAxon polar_surface_area 92.68 ChemAxon refractivity 122.4 ChemAxon polarizability 50.17 ChemAxon rotatable_bond_count 2 ChemAxon acceptor_count 7 ChemAxon donor_count 1 ChemAxon physiological_charge 0 ChemAxon formal_charge 0 ChemAxon Specdb::CMs 26142 Specdb::CMs 41691 Specdb::CMs 170600 Specdb::MsMs 107673 Specdb::MsMs 107674 Specdb::MsMs 107675 Specdb::MsMs 174702 Specdb::MsMs 174703 Specdb::MsMs 174704 Specdb::MsMs 2353078 Specdb::MsMs 2353079 Specdb::MsMs 2353080 Specdb::MsMs 2585584 Specdb::MsMs 2585585 Specdb::MsMs 2585586 HMDB30004 #<Reference:0x000055ce33326ed0>