1.0 2010-04-08 22:10:36 UTC 2019-11-26 03:08:11 UTC FDB013244 BL IV Constituent of the kurukawa mushroom (Boletopsis leucomelas) (edibility not reported). BL IV is found in mushrooms. BL IV Cibacron blue cibacron blue 3GA cibacron blue F 3GA Reactive blue 2 C24H18O10 466.3937 466.089996796 4,6-bis(acetyloxy)-11,12-dihydroxy-5-(4-hydroxyphenyl)-8-oxatricyclo[7.4.0.0²,⁷]trideca-1(9),2,4,6,10,12-hexaen-3-yl acetate 4,6-bis(acetyloxy)-11,12-dihydroxy-5-(4-hydroxyphenyl)-8-oxatricyclo[7.4.0.0²,⁷]trideca-1(9),2,4,6,10,12-hexaen-3-yl acetate 112209-53-7 CC(=O)OC1=C2OC3=C(C=C(O)C(O)=C3)C2=C(OC(C)=O)C(OC(C)=O)=C1C1=CC=C(O)C=C1 InChI=1S/C24H18O10/c1-10(25)31-21-19(13-4-6-14(28)7-5-13)22(32-11(2)26)24-20(23(21)33-12(3)27)15-8-16(29)17(30)9-18(15)34-24/h4-9,28-30H,1-3H3 DTOIFOOSMQSUBD-UHFFFAOYSA-N belongs to the class of organic compounds known as phenylbenzofurans. These are organic aromatic compounds that contain a phenyl group attached to a benzofuran moiety. Benzofuran is a bicyclic compound containing a benzene fused to a furan. Phenylbenzofurans Organic compounds Organoheterocyclic compounds Benzofurans Phenylbenzofurans Aromatic heteropolycyclic compounds 1-hydroxy-2-unsubstituted benzenoids Benzene and substituted derivatives Carbonyl compounds Carboxylic acid esters Dibenzofurans Furans Heteroaromatic compounds Hydrocarbon derivatives Organic oxides Oxacyclic compounds Tricarboxylic acids and derivatives 1-hydroxy-2-unsubstituted benzenoid Aromatic heteropolycyclic compound Benzenoid Carbonyl group Carboxylic acid derivative Carboxylic acid ester Dibenzofuran Furan Heteroaromatic compound Hydrocarbon derivative Monocyclic benzene moiety Organic oxide Organic oxygen compound Organooxygen compound Oxacycle Phenol Phenylbenzofuran Tricarboxylic acid or derivatives logp 3.96 ALOGPS logs -3.74 ALOGPS solubility 8.49e-02 g/l ALOGPS melting_point Mp 242-245° dec. logp 2.71 ChemAxon pka_strongest_acidic 8.46 ChemAxon pka_strongest_basic -3.7 ChemAxon iupac 4,6-bis(acetyloxy)-11,12-dihydroxy-5-(4-hydroxyphenyl)-8-oxatricyclo[7.4.0.0²,⁷]trideca-1(9),2,4,6,10,12-hexaen-3-yl acetate ChemAxon average_mass 466.3937 ChemAxon mono_mass 466.089996796 ChemAxon smiles CC(=O)OC1=C2OC3=C(C=C(O)C(O)=C3)C2=C(OC(C)=O)C(OC(C)=O)=C1C1=CC=C(O)C=C1 ChemAxon formula C24H18O10 ChemAxon inchi InChI=1S/C24H18O10/c1-10(25)31-21-19(13-4-6-14(28)7-5-13)22(32-11(2)26)24-20(23(21)33-12(3)27)15-8-16(29)17(30)9-18(15)34-24/h4-9,28-30H,1-3H3 ChemAxon inchikey DTOIFOOSMQSUBD-UHFFFAOYSA-N ChemAxon polar_surface_area 152.73 ChemAxon refractivity 115.7 ChemAxon polarizability 46.02 ChemAxon rotatable_bond_count 7 ChemAxon acceptor_count 6 ChemAxon donor_count 3 ChemAxon physiological_charge 0 ChemAxon formal_charge 0 ChemAxon Specdb::CMs 20319 Specdb::CMs 44013 Specdb::CMs 170146 Specdb::MsMs 97404 Specdb::MsMs 97405 Specdb::MsMs 97406 Specdb::MsMs 162120 Specdb::MsMs 162121 Specdb::MsMs 162122 Specdb::MsMs 2274192 Specdb::MsMs 2274193 Specdb::MsMs 2274194 Specdb::MsMs 3091634 Specdb::MsMs 3091635 Specdb::MsMs 3091636 HMDB34709 #<Reference:0x000055ce32284190> Common mushroom Type 1 specific Agaricus bisporus 5341 Mushrooms Unknown generic Oyster mushroom Type 1 specific Pleurotus ostreatus 5322