1.0 2010-04-08 22:14:11 UTC 2019-11-26 03:17:12 UTC FDB019187 BL III Constituent of the kurukawa mushroom (Boletopsis leucomelas) (edibility not reported). BL III is found in mushrooms. BL III C26H20O11 508.4304 508.100561482 3,6-bis(acetyloxy)-5-[4-(acetyloxy)phenyl]-11,12-dihydroxy-8-oxatricyclo[7.4.0.0²,⁷]trideca-1(9),2,4,6,10,12-hexaen-4-yl acetate 3,6-bis(acetyloxy)-5-[4-(acetyloxy)phenyl]-11,12-dihydroxy-8-oxatricyclo[7.4.0.0²,⁷]trideca-1(9),2,4,6,10,12-hexaen-4-yl acetate CC(=O)OC1=CC=C(C=C1)C1=C(OC(C)=O)C(OC(C)=O)=C2C3=C(OC2=C1OC(C)=O)C=C(O)C(O)=C3 InChI=1S/C26H20O11/c1-11(27)33-16-7-5-15(6-8-16)21-23(34-12(2)28)25(36-14(4)30)22-17-9-18(31)19(32)10-20(17)37-26(22)24(21)35-13(3)29/h5-10,31-32H,1-4H3 RCCVHCHMVALAKN-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 Carbonyl compounds Carboxylic acid esters Dibenzofurans Furans Heteroaromatic compounds Hydrocarbon derivatives Organic oxides Oxacyclic compounds Phenol esters Phenoxy compounds Tetracarboxylic 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 ester Phenoxy compound Phenylbenzofuran Tetracarboxylic acid or derivatives logp 4.16 ALOGPS logs -4.06 ALOGPS solubility 4.45e-02 g/l ALOGPS melting_point Mp 194-196° logp 2.62 ChemAxon pka_strongest_acidic 8.52 ChemAxon pka_strongest_basic -3.7 ChemAxon iupac 3,6-bis(acetyloxy)-5-[4-(acetyloxy)phenyl]-11,12-dihydroxy-8-oxatricyclo[7.4.0.0²,⁷]trideca-1(9),2,4,6,10,12-hexaen-4-yl acetate ChemAxon average_mass 508.4304 ChemAxon mono_mass 508.100561482 ChemAxon smiles CC(=O)OC1=CC=C(C=C1)C1=C(OC(C)=O)C(OC(C)=O)=C2C3=C(OC2=C1OC(C)=O)C=C(O)C(O)=C3 ChemAxon formula C26H20O11 ChemAxon inchi InChI=1S/C26H20O11/c1-11(27)33-16-7-5-15(6-8-16)21-23(34-12(2)28)25(36-14(4)30)22-17-9-18(31)19(32)10-20(17)37-26(22)24(21)35-13(3)29/h5-10,31-32H,1-4H3 ChemAxon inchikey RCCVHCHMVALAKN-UHFFFAOYSA-N ChemAxon polar_surface_area 158.8 ChemAxon refractivity 124.85 ChemAxon polarizability 50.78 ChemAxon rotatable_bond_count 9 ChemAxon acceptor_count 6 ChemAxon donor_count 2 ChemAxon physiological_charge 0 ChemAxon formal_charge 0 ChemAxon Specdb::CMs 22014 Specdb::CMs 46459 Specdb::MsMs 109050 Specdb::MsMs 109051 Specdb::MsMs 109052 Specdb::MsMs 176418 Specdb::MsMs 176419 Specdb::MsMs 176420 Specdb::MsMs 2808785 Specdb::MsMs 2808786 Specdb::MsMs 2808787 Specdb::MsMs 2900004 Specdb::MsMs 2900005 Specdb::MsMs 2900006 HMDB39566 #<Reference:0x000055ce334cf958> Common mushroom Type 1 specific Agaricus bisporus 5341 Mushrooms Unknown generic Oyster mushroom Type 1 specific Pleurotus ostreatus 5322