1.0 2010-04-08 22:05:11 UTC 2025-11-18 22:34:04 UTC FDB001967 Austalide L Mycotoxin production by Aspergillus ustus. Austalide L C25H32O6 428.518 428.219888756 19-hydroxy-10-methoxy-1,4,14,18,18-pentamethyl-2,7-dioxapentacyclo[11.8.0.0³,¹¹.0⁵,⁹.0¹⁴,¹⁹]henicosa-3(11),4,9-triene-8,17-dione 19-hydroxy-10-methoxy-1,4,14,18,18-pentamethyl-2,7-dioxapentacyclo[11.8.0.0³,¹¹.0⁵,⁹.0¹⁴,¹⁹]henicosa-3(11),4,9-triene-8,17-dione 87833-52-1 COC1=C2C(=O)OCC2=C(C)C2=C1CC1C(C)(CCC3(O)C(C)(C)C(=O)CCC13C)O2 InChI=1S/C25H32O6/c1-13-15-12-30-21(27)18(15)20(29-6)14-11-16-23(4)8-7-17(26)22(2,3)25(23,28)10-9-24(16,5)31-19(13)14/h16,28H,7-12H2,1-6H3 XTSSAALSNSPVIH-UHFFFAOYSA-N belongs to the class of organic compounds known as isoflavanols. These are polycyclic compounds containing a hydroxylated isoflavan skeleton. Isoflavanols Organic compounds Phenylpropanoids and polyketides Isoflavonoids Isoflavans Aromatic heteropolycyclic compounds Alkyl aryl ethers Anisoles Carboxylic acid esters Cyclic alcohols and derivatives Cyclic ketones Hydrocarbon derivatives Lactones Monocarboxylic acids and derivatives Naphthalenes Naphthopyrans Organic oxides Oxacyclic compounds Phthalides Pyrans Tertiary alcohols Xanthenes 1-benzopyran Alcohol Alkyl aryl ether Anisole Aromatic heteropolycyclic compound Benzenoid Benzopyran Carbonyl group Carboxylic acid derivative Carboxylic acid ester Chromane Cyclic alcohol Cyclic ketone Dibenzopyran Ether Hydrocarbon derivative Isobenzofuranone Isocoumaran Isoflavanol Ketone Lactone Monocarboxylic acid or derivatives Naphthalene Naphthopyran Organic oxide Organic oxygen compound Organoheterocyclic compound Organooxygen compound Oxacycle Phthalide Pyran Tertiary alcohol Xanthene logp 3.47 ALOGPS logs -5.03 ALOGPS solubility 4.02e-03 g/l ALOGPS melting_point Mp 207-208° logp 3.99 ChemAxon pka_strongest_acidic 13.84 ChemAxon pka_strongest_basic -3.3 ChemAxon iupac 19-hydroxy-10-methoxy-1,4,14,18,18-pentamethyl-2,7-dioxapentacyclo[11.8.0.0³,¹¹.0⁵,⁹.0¹⁴,¹⁹]henicosa-3(11),4,9-triene-8,17-dione ChemAxon average_mass 428.518 ChemAxon mono_mass 428.219888756 ChemAxon smiles COC1=C2C(=O)OCC2=C(C)C2=C1CC1C(C)(CCC3(O)C(C)(C)C(=O)CCC13C)O2 ChemAxon formula C25H32O6 ChemAxon inchi InChI=1S/C25H32O6/c1-13-15-12-30-21(27)18(15)20(29-6)14-11-16-23(4)8-7-17(26)22(2,3)25(23,28)10-9-24(16,5)31-19(13)14/h16,28H,7-12H2,1-6H3 ChemAxon inchikey XTSSAALSNSPVIH-UHFFFAOYSA-N ChemAxon polar_surface_area 82.06 ChemAxon refractivity 115.43 ChemAxon polarizability 46.66 ChemAxon rotatable_bond_count 1 ChemAxon acceptor_count 5 ChemAxon donor_count 1 ChemAxon physiological_charge 0 ChemAxon formal_charge 0 ChemAxon Specdb::CMs 14225 Specdb::CMs 41790 Specdb::CMs 137615 Specdb::CMs 145349 Specdb::MsMs 107448 Specdb::MsMs 107449 Specdb::MsMs 107450 Specdb::MsMs 174435 Specdb::MsMs 174436 Specdb::MsMs 174437 Specdb::MsMs 2812367 Specdb::MsMs 2812368 Specdb::MsMs 2812369 Specdb::MsMs 2897058 Specdb::MsMs 2897059 Specdb::MsMs 2897060 HMDB30158 #<Reference:0x000055ce31c28e18>