1.0 2010-04-08 22:10:07 UTC 2025-11-18 23:35:47 UTC FDB012334 Austalide E Metabolite of Aspergillus ustus. Austalide E C28H36O10 532.5794 532.230847372 18-hydroxy-13,20-dimethoxy-4,7,17,22,22-pentamethyl-11-oxo-5,10,21,23-tetraoxahexacyclo[18.2.1.0¹,¹⁷.0⁴,¹⁶.0⁶,¹⁴.0⁸,¹²]tricosa-6(14),7,12-trien-2-yl acetate 18-hydroxy-13,20-dimethoxy-4,7,17,22,22-pentamethyl-11-oxo-5,10,21,23-tetraoxahexacyclo[18.2.1.0¹,¹⁷.0⁴,¹⁶.0⁶,¹⁴.0⁸,¹²]tricosa-6(14),7,12-trien-2-yl acetate 81543-05-7 COC1=C2C(=O)OCC2=C(C)C2=C1CC1C(C)(CC(OC(C)=O)C34OC(CC(O)C13C)(OC)OC4(C)C)O2 InChI=1S/C28H36O10/c1-13-16-12-34-23(31)20(16)22(32-7)15-9-17-25(5,36-21(13)15)11-19(35-14(2)29)28-24(3,4)37-27(33-8,38-28)10-18(30)26(17,28)6/h17-19,30H,9-12H2,1-8H3 FGVDMOOUPMLQRT-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 Carbonyl compounds Carboxylic acid esters Carboxylic acid orthoesters Dicarboxylic acids and derivatives Hydrocarbon derivatives Lactones Organic oxides Ortho esters Oxacyclic compounds Oxanes Oxepanes Phthalides Secondary alcohols Alcohol Alkyl aryl ether Anisole Aromatic heteropolycyclic compound Benzenoid Carbonyl group Carboxylic acid derivative Carboxylic acid ester Carboxylic acid orthoester Dicarboxylic acid or derivatives Ether Hydrocarbon derivative Isobenzofuranone Isocoumaran Lactone Meta-dioxolane Organic oxide Organic oxygen compound Organooxygen compound Ortho ester Orthocarboxylic acid derivative Oxacycle Oxane Oxepane Phthalide Secondary alcohol Xanthene logp 2.64 ALOGPS logs -4.04 ALOGPS solubility 4.90e-02 g/l ALOGPS melting_point Mp 262-264° logp 2.03 ChemAxon pka_strongest_acidic 14.28 ChemAxon pka_strongest_basic -3.1 ChemAxon iupac 18-hydroxy-13,20-dimethoxy-4,7,17,22,22-pentamethyl-11-oxo-5,10,21,23-tetraoxahexacyclo[18.2.1.0¹,¹⁷.0⁴,¹⁶.0⁶,¹⁴.0⁸,¹²]tricosa-6(14),7,12-trien-2-yl acetate ChemAxon average_mass 532.5794 ChemAxon mono_mass 532.230847372 ChemAxon smiles COC1=C2C(=O)OCC2=C(C)C2=C1CC1C(C)(CC(OC(C)=O)C34OC(CC(O)C13C)(OC)OC4(C)C)O2 ChemAxon formula C28H36O10 ChemAxon inchi InChI=1S/C28H36O10/c1-13-16-12-34-23(31)20(16)22(32-7)15-9-17-25(5,36-21(13)15)11-19(35-14(2)29)28-24(3,4)37-27(33-8,38-28)10-18(30)26(17,28)6/h17-19,30H,9-12H2,1-8H3 ChemAxon inchikey FGVDMOOUPMLQRT-UHFFFAOYSA-N ChemAxon polar_surface_area 118.98 ChemAxon refractivity 132.91 ChemAxon polarizability 55.35 ChemAxon rotatable_bond_count 4 ChemAxon acceptor_count 8 ChemAxon donor_count 1 ChemAxon physiological_charge 0 ChemAxon formal_charge 0 ChemAxon Specdb::CMs 18887 Specdb::CMs 43691 Specdb::CMs 231357 Specdb::CMs 281135 Specdb::MsMs 102735 Specdb::MsMs 102736 Specdb::MsMs 102737 Specdb::MsMs 168606 Specdb::MsMs 168607 Specdb::MsMs 168608 Specdb::MsMs 2772152 Specdb::MsMs 2772153 Specdb::MsMs 2772154 Specdb::MsMs 2910506 Specdb::MsMs 2910507 Specdb::MsMs 2910508 HMDB34076 #<Reference:0x000055ce31ab6aa8>