1.0 2010-04-08 22:10:07 UTC 2018-05-28 23:35:54 UTC FDB012333 Austalide C Metabolite of Aspergillus ustus. Austalide C C30H38O11 574.6161 574.241412058 18-(acetyloxy)-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-(acetyloxy)-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 81543-03-5 COC1=C2C(=O)OCC2=C(C)C2=C1CC1C(C)(CC(OC(C)=O)C34OC(CC(OC(C)=O)C13C)(OC)OC4(C)C)O2 InChI=1S/C30H38O11/c1-14-18-13-36-25(33)22(18)24(34-8)17-10-19-27(6,39-23(14)17)11-21(38-16(3)32)30-26(4,5)40-29(35-9,41-30)12-20(28(19,30)7)37-15(2)31/h19-21H,10-13H2,1-9H3 CSYWTGORJHMPOT-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 Hydrocarbon derivatives Lactones Organic oxides Ortho esters Oxacyclic compounds Oxanes Oxepanes Phthalides Tricarboxylic acids and derivatives Alkyl aryl ether Anisole Aromatic heteropolycyclic compound Benzenoid Carbonyl group Carboxylic acid derivative Carboxylic acid ester Carboxylic acid orthoester Ether Hydrocarbon derivative Isobenzofuranone Isocoumaran Lactone Meta-dioxolane Organic oxide Organic oxygen compound Organooxygen compound Ortho ester Orthocarboxylic acid derivative Oxacycle Oxane Oxepane Phthalide Tricarboxylic acid or derivatives Xanthene logp 3.35 ALOGPS logs -4.43 ALOGPS solubility 2.14e-02 g/l ALOGPS logp 2.44 ChemAxon pka_strongest_acidic 15.19 ChemAxon pka_strongest_basic -3.9 ChemAxon iupac 18-(acetyloxy)-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 574.6161 ChemAxon mono_mass 574.241412058 ChemAxon smiles COC1=C2C(=O)OCC2=C(C)C2=C1CC1C(C)(CC(OC(C)=O)C34OC(CC(OC(C)=O)C13C)(OC)OC4(C)C)O2 ChemAxon formula C30H38O11 ChemAxon inchi InChI=1S/C30H38O11/c1-14-18-13-36-25(33)22(18)24(34-8)17-10-19-27(6,39-23(14)17)11-21(38-16(3)32)30-26(4,5)40-29(35-9,41-30)12-20(28(19,30)7)37-15(2)31/h19-21H,10-13H2,1-9H3 ChemAxon inchikey CSYWTGORJHMPOT-UHFFFAOYSA-N ChemAxon polar_surface_area 125.05 ChemAxon refractivity 142.07 ChemAxon polarizability 59.57 ChemAxon rotatable_bond_count 6 ChemAxon acceptor_count 8 ChemAxon donor_count 0 ChemAxon physiological_charge 0 ChemAxon formal_charge 0 ChemAxon Specdb::CMs 24991 Specdb::MsMs 11978 Specdb::MsMs 11979 Specdb::MsMs 11980 Specdb::MsMs 18650 Specdb::MsMs 18651 Specdb::MsMs 18652 Specdb::MsMs 2469990 Specdb::MsMs 2469991 Specdb::MsMs 2469992 Specdb::MsMs 2492537 Specdb::MsMs 2492538 Specdb::MsMs 2492539 HMDB34075 #<Reference:0x000055ce32912d90>