1.0 2010-04-08 22:05:11 UTC 2018-05-28 22:11:07 UTC FDB001963 Austalide G Mycotoxin production by Aspergillus ustus. Austalide G C28H38O9 518.5959 518.251582814 methyl 3-[7-(acetyloxy)-8-(2-hydroxypropan-2-yl)-11-methoxy-4,5a,9-trimethyl-1-oxo-1H,3H,5aH,6H,7H,8H,9H,9aH,10H-furo[3,4-b]xanthen-9-yl]propanoate methyl 3-[7-(acetyloxy)-8-(2-hydroxypropan-2-yl)-11-methoxy-4,5a,9-trimethyl-1-oxo-3H,6H,7H,8H,9aH,10H-furo[3,4-b]xanthen-9-yl]propanoate 96817-09-3 COC(=O)CCC1(C)C2CC3=C(OC2(C)CC(OC(C)=O)C1C(C)(C)O)C(C)=C1COC(=O)C1=C3OC InChI=1S/C28H38O9/c1-14-17-13-35-25(31)21(17)23(34-8)16-11-19-27(5,10-9-20(30)33-7)24(26(3,4)32)18(36-15(2)29)12-28(19,6)37-22(14)16/h18-19,24,32H,9-13H2,1-8H3 ZOYRWINBLNBGCP-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 Alkyl aryl ethers Anisoles Carbonyl compounds Fatty acid esters Hydrocarbon derivatives Lactones Methyl esters Organic oxides Oxacyclic compounds Phthalides Tertiary alcohols Tricarboxylic acids and derivatives Alcohol Alkyl aryl ether Anisole Aromatic heteropolycyclic compound Benzenoid Carbonyl group Carboxylic acid derivative Carboxylic acid ester Ether Fatty acid ester Fatty acyl Hydrocarbon derivative Isobenzofuranone Isocoumaran Lactone Methyl ester Organic oxide Organic oxygen compound Organooxygen compound Oxacycle Phthalide Tertiary alcohol Tricarboxylic acid or derivatives Xanthene logp 3.61 ALOGPS logs -5.19 ALOGPS solubility 3.38e-03 g/l ALOGPS logp 2.73 ChemAxon pka_strongest_acidic 14.76 ChemAxon pka_strongest_basic -2.8 ChemAxon iupac methyl 3-[7-(acetyloxy)-8-(2-hydroxypropan-2-yl)-11-methoxy-4,5a,9-trimethyl-1-oxo-1H,3H,5aH,6H,7H,8H,9H,9aH,10H-furo[3,4-b]xanthen-9-yl]propanoate ChemAxon average_mass 518.5959 ChemAxon mono_mass 518.251582814 ChemAxon smiles COC(=O)CCC1(C)C2CC3=C(OC2(C)CC(OC(C)=O)C1C(C)(C)O)C(C)=C1COC(=O)C1=C3OC ChemAxon formula C28H38O9 ChemAxon inchi InChI=1S/C28H38O9/c1-14-17-13-35-25(31)21(17)23(34-8)16-11-19-27(5,10-9-20(30)33-7)24(26(3,4)32)18(36-15(2)29)12-28(19,6)37-22(14)16/h18-19,24,32H,9-13H2,1-8H3 ChemAxon inchikey ZOYRWINBLNBGCP-UHFFFAOYSA-N ChemAxon polar_surface_area 117.59 ChemAxon refractivity 134.16 ChemAxon polarizability 55.71 ChemAxon rotatable_bond_count 8 ChemAxon acceptor_count 6 ChemAxon donor_count 1 ChemAxon physiological_charge 0 ChemAxon formal_charge 0 ChemAxon Specdb::CMs 17670 Specdb::CMs 41788 Specdb::MsMs 64611 Specdb::MsMs 64612 Specdb::MsMs 64613 Specdb::MsMs 121824 Specdb::MsMs 121825 Specdb::MsMs 121826 Specdb::MsMs 2286322 Specdb::MsMs 2286323 Specdb::MsMs 2286324 Specdb::MsMs 3082083 Specdb::MsMs 3082084 Specdb::MsMs 3082085 HMDB30154 #<Reference:0x000055ce31ddb6c0>