1.0 2010-04-08 22:14:11 UTC 2019-11-26 03:17:12 UTC FDB019186 BL II Constituent of the kurukawa mushroom (Boletopsis leucomelas) (edibility not reported). BL II is found in mushrooms. BL II C28H22O12 550.4671 550.111126168 5,10,12,13-tetrakis(acetyloxy)-11-(4-hydroxyphenyl)-8-oxatricyclo[7.4.0.0²,⁷]trideca-1(13),2,4,6,9,11-hexaen-4-yl acetate 5,10,12,13-tetrakis(acetyloxy)-11-(4-hydroxyphenyl)-8-oxatricyclo[7.4.0.0²,⁷]trideca-1(13),2,4,6,9,11-hexaen-4-yl acetate CC(=O)OC1=C(OC(C)=O)C=C2C(OC3=C(OC(C)=O)C(C4=CC=C(O)C=C4)=C(OC(C)=O)C(OC(C)=O)=C23)=C1 InChI=1S/C28H22O12/c1-12(29)35-21-10-19-20(11-22(21)36-13(2)30)40-28-24(19)27(39-16(5)33)25(37-14(3)31)23(26(28)38-15(4)32)17-6-8-18(34)9-7-17/h6-11,34H,1-5H3 BKYOIMKDXAUYEQ-UHFFFAOYSA-N belongs to the class of organic compounds known as pentacarboxylic acids and derivatives. These are carboxylic acids containing exactly five carboxyl groups. Pentacarboxylic acids and derivatives Organic compounds Organic acids and derivatives Carboxylic acids and derivatives Pentacarboxylic acids and derivatives 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 Phenylbenzofurans 1-hydroxy-2-unsubstituted benzenoid Aromatic heteropolycyclic compound Benzenoid Benzofuran Carbonyl group Carboxylic acid ester Dibenzofuran Furan Heteroaromatic compound Hydrocarbon derivative Monocyclic benzene moiety Organic oxide Organic oxygen compound Organoheterocyclic compound Organooxygen compound Oxacycle Pentacarboxylic acid or derivatives Phenol Phenylbenzofuran logp 4.04 ALOGPS logs -4.40 ALOGPS solubility 2.20e-02 g/l ALOGPS melting_point Mp 130-131° logp 2.53 ChemAxon pka_strongest_acidic 9.4 ChemAxon pka_strongest_basic -3.9 ChemAxon iupac 5,10,12,13-tetrakis(acetyloxy)-11-(4-hydroxyphenyl)-8-oxatricyclo[7.4.0.0²,⁷]trideca-1(13),2,4,6,9,11-hexaen-4-yl acetate ChemAxon average_mass 550.4671 ChemAxon mono_mass 550.111126168 ChemAxon smiles CC(=O)OC1=C(OC(C)=O)C=C2C(OC3=C(OC(C)=O)C(C4=CC=C(O)C=C4)=C(OC(C)=O)C(OC(C)=O)=C23)=C1 ChemAxon formula C28H22O12 ChemAxon inchi InChI=1S/C28H22O12/c1-12(29)35-21-10-19-20(11-22(21)36-13(2)30)40-28-24(19)27(39-16(5)33)25(37-14(3)31)23(26(28)38-15(4)32)17-6-8-18(34)9-7-17/h6-11,34H,1-5H3 ChemAxon inchikey BKYOIMKDXAUYEQ-UHFFFAOYSA-N ChemAxon polar_surface_area 164.87 ChemAxon refractivity 134.01 ChemAxon polarizability 54.71 ChemAxon rotatable_bond_count 11 ChemAxon acceptor_count 6 ChemAxon donor_count 1 ChemAxon physiological_charge 0 ChemAxon formal_charge 0 ChemAxon Specdb::CMs 22333 Specdb::CMs 46458 Specdb::CMs 281713 Specdb::CMs 324634 Specdb::MsMs 56487 Specdb::MsMs 56488 Specdb::MsMs 56489 Specdb::MsMs 111921 Specdb::MsMs 111922 Specdb::MsMs 111923 Specdb::MsMs 2378919 Specdb::MsMs 2378920 Specdb::MsMs 2378921 Specdb::MsMs 2556120 Specdb::MsMs 2556121 Specdb::MsMs 2556122 HMDB39565 #<Reference:0x000055ce3323e540> Common mushroom Type 1 specific Agaricus bisporus 5341 Mushrooms Unknown generic Oyster mushroom Type 1 specific Pleurotus ostreatus 5322