1.0 2010-04-08 22:10:24 UTC 2018-05-28 23:39:50 UTC FDB012873 Austinol Metabolite of Emericella nidulans, Emericella dentata, Aspergillus variecolor and Aspergillus ustus. Austinol C25H30O8 458.5009 458.194067936 8',12'-dihydroxy-2,2,2',6',9',13'-hexamethyl-16'-methylidene-2,6-dihydro-10',14'-dioxaspiro[pyran-3,5'-tetracyclo[7.6.1.0¹,¹².0²,⁷]hexadecan]-6'-ene-6,11',15'-trione 8',12'-dihydroxy-2,2,2',6',9',13'-hexamethyl-16'-methylidene-10',14'-dioxaspiro[pyran-3,5'-tetracyclo[7.6.1.0¹,¹².0²,⁷]hexadecan]-6'-ene-6,11',15'-trione 72040-27-8 CC1OC(=O)C23C(=C)C(C)(OC(=O)C12O)C(O)C1=C(C)C2(CCC31C)C=CC(=O)OC2(C)C InChI=1S/C25H30O8/c1-12-16-17(27)22(7)13(2)24(18(28)31-14(3)25(24,30)19(29)33-22)21(16,6)10-11-23(12)9-8-15(26)32-20(23,4)5/h8-9,14,17,27,30H,2,10-11H2,1,3-7H3 DNKFADXVMUNRRM-UHFFFAOYSA-N belongs to the class of organic compounds known as furopyrans. These are organic polycyclic compounds containing a furan ring fused to a pyran ring. Furan is a five-membered aromatic ring with four carbon atoms and one oxygen atom. Pyran a six-membered heterocyclic, non-aromatic ring, made up of five carbon atoms and one oxygen atom and containing two double bonds. Furopyrans Organic compounds Organoheterocyclic compounds Furopyrans Aliphatic heteropolycyclic compounds Carbonyl compounds Cyclic alcohols and derivatives Delta valerolactones Dihydropyranones Enoate esters Furans Gamma butyrolactones Hydrocarbon derivatives Organic oxides Oxacyclic compounds Oxanes Secondary alcohols Tertiary alcohols Tetrahydrofurans Tricarboxylic acids and derivatives Alcohol Aliphatic heteropolycyclic compound Alpha,beta-unsaturated carboxylic ester Carbonyl group Carboxylic acid derivative Carboxylic acid ester Cyclic alcohol Delta valerolactone Delta_valerolactone Dihydropyranone Enoate ester Furan Furopyran Gamma butyrolactone Hydrocarbon derivative Lactone Organic oxide Organic oxygen compound Organooxygen compound Oxacycle Oxane Pyran Secondary alcohol Tertiary alcohol Tetrahydrofuran Tricarboxylic acid or derivatives logp 2.13 ALOGPS logs -3.49 ALOGPS solubility 1.50e-01 g/l ALOGPS logp 1.66 ChemAxon pka_strongest_acidic 10.79 ChemAxon pka_strongest_basic -3.5 ChemAxon iupac 8',12'-dihydroxy-2,2,2',6',9',13'-hexamethyl-16'-methylidene-2,6-dihydro-10',14'-dioxaspiro[pyran-3,5'-tetracyclo[7.6.1.0¹,¹².0²,⁷]hexadecan]-6'-ene-6,11',15'-trione ChemAxon average_mass 458.5009 ChemAxon mono_mass 458.194067936 ChemAxon smiles CC1OC(=O)C23C(=C)C(C)(OC(=O)C12O)C(O)C1=C(C)C2(CCC31C)C=CC(=O)OC2(C)C ChemAxon formula C25H30O8 ChemAxon inchi InChI=1S/C25H30O8/c1-12-16-17(27)22(7)13(2)24(18(28)31-14(3)25(24,30)19(29)33-22)21(16,6)10-11-23(12)9-8-15(26)32-20(23,4)5/h8-9,14,17,27,30H,2,10-11H2,1,3-7H3 ChemAxon inchikey DNKFADXVMUNRRM-UHFFFAOYSA-N ChemAxon polar_surface_area 119.36 ChemAxon refractivity 115.76 ChemAxon polarizability 45.55 ChemAxon rotatable_bond_count 0 ChemAxon acceptor_count 5 ChemAxon donor_count 2 ChemAxon physiological_charge 0 ChemAxon formal_charge 0 ChemAxon Specdb::CMs 13269 Specdb::CMs 43888 Specdb::CMs 137392 Specdb::CMs 145126 Specdb::MsMs 12689 Specdb::MsMs 12690 Specdb::MsMs 12691 Specdb::MsMs 19361 Specdb::MsMs 19362 Specdb::MsMs 19363 Specdb::MsMs 2702209 Specdb::MsMs 2702210 Specdb::MsMs 2702211 Specdb::MsMs 3006713 Specdb::MsMs 3006714 Specdb::MsMs 3006715 HMDB34464 #<Reference:0x000055ce32448288>