1.0 2010-04-08 22:10:57 UTC 2019-11-26 03:09:11 UTC FDB013864 10-Acetoxyoleuropein Constituent of osmanthus leaves (Osmanthus fragrans). 10-Acetoxyoleuropein is found in herbs and spices. 10-Acetoxyoleuropein C27H34O15 598.5499 598.189770418 methyl (3E)-3-[2-(acetyloxy)ethylidene]-4-{2-[2-(3,4-dihydroxyphenyl)ethoxy]-2-oxoethyl}-2-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-3,4-dihydro-2H-pyran-5-carboxylate methyl (5E)-5-[2-(acetyloxy)ethylidene]-4-{2-[2-(3,4-dihydroxyphenyl)ethoxy]-2-oxoethyl}-6-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-4,6-dihydropyran-3-carboxylate COC(=O)C1=COC(OC2OC(CO)C(O)C(O)C2O)\C(=C\COC(C)=O)C1CC(=O)OCCC1=CC(O)=C(O)C=C1 InChI=1S/C27H34O15/c1-13(29)38-8-6-15-16(10-21(32)39-7-5-14-3-4-18(30)19(31)9-14)17(25(36)37-2)12-40-26(15)42-27-24(35)23(34)22(33)20(11-28)41-27/h3-4,6,9,12,16,20,22-24,26-28,30-31,33-35H,5,7-8,10-11H2,1-2H3/b15-6+ YLCGBFYGDVDQTI-GIDUJCDVSA-N belongs to the class of organic compounds known as tropolones. Tropolones are compounds containing tropone ring with a hydroxyl group at ring position 2. Tropolones Organic compounds Hydrocarbon derivatives Tropones Tropolones Aromatic homomonocyclic compounds Cyclic ketones Organic oxides Aromatic homomonocyclic compound Cyclic ketone Organic oxide Organic oxygen compound Organooxygen compound Tropolone Cyclic monoterpenes cyclic ketone enol monoterpenoid logp 0.36 ALOGPS logs -2.98 ALOGPS solubility 6.24e-01 g/l ALOGPS logp -0.73 ChemAxon pka_strongest_acidic 4.5 ChemAxon pka_strongest_basic -3 ChemAxon iupac methyl (3E)-3-[2-(acetyloxy)ethylidene]-4-{2-[2-(3,4-dihydroxyphenyl)ethoxy]-2-oxoethyl}-2-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-3,4-dihydro-2H-pyran-5-carboxylate ChemAxon average_mass 598.5499 ChemAxon mono_mass 598.189770418 ChemAxon smiles COC(=O)C1=COC(OC2OC(CO)C(O)C(O)C2O)\C(=C\COC(C)=O)C1CC(=O)OCCC1=CC(O)=C(O)C=C1 ChemAxon formula C27H34O15 ChemAxon inchi InChI=1S/C27H34O15/c1-13(29)38-8-6-15-16(10-21(32)39-7-5-14-3-4-18(30)19(31)9-14)17(25(36)37-2)12-40-26(15)42-27-24(35)23(34)22(33)20(11-28)41-27/h3-4,6,9,12,16,20,22-24,26-28,30-31,33-35H,5,7-8,10-11H2,1-2H3/b15-6+ ChemAxon inchikey YLCGBFYGDVDQTI-GIDUJCDVSA-N ChemAxon polar_surface_area 227.97 ChemAxon refractivity 139.14 ChemAxon polarizability 59.24 ChemAxon rotatable_bond_count 14 ChemAxon acceptor_count 12 ChemAxon donor_count 6 ChemAxon physiological_charge 0 ChemAxon formal_charge 0 ChemAxon Specdb::CMs 25809 Specdb::CMs 44258 Specdb::CMs 457008 Specdb::CMs 457009 Specdb::CMs 457010 Specdb::CMs 457011 Specdb::CMs 457012 Specdb::CMs 457013 Specdb::CMs 457014 Specdb::CMs 457015 Specdb::CMs 457016 Specdb::CMs 457017 Specdb::CMs 457018 Specdb::CMs 457019 Specdb::CMs 457020 Specdb::CMs 457021 Specdb::CMs 457022 Specdb::CMs 457023 Specdb::CMs 457024 Specdb::CMs 457025 Specdb::CMs 457026 Specdb::CMs 457027 Specdb::CMs 457028 Specdb::CMs 457029 Specdb::CMs 457030 Specdb::NmrOneD 130518 Specdb::NmrOneD 130519 Specdb::NmrOneD 130520 Specdb::NmrOneD 130521 Specdb::NmrOneD 130522 Specdb::NmrOneD 130523 Specdb::NmrOneD 130524 Specdb::NmrOneD 130525 Specdb::NmrOneD 130526 Specdb::NmrOneD 130527 Specdb::NmrOneD 130528 Specdb::NmrOneD 130529 Specdb::NmrOneD 130530 Specdb::NmrOneD 130531 Specdb::NmrOneD 130532 Specdb::NmrOneD 130533 Specdb::NmrOneD 130534 Specdb::NmrOneD 130535 Specdb::NmrOneD 130536 Specdb::NmrOneD 130537 Specdb::MsMs 54456 Specdb::MsMs 54457 Specdb::MsMs 54458 Specdb::MsMs 115917 Specdb::MsMs 115918 Specdb::MsMs 115919 Specdb::MsMs 2691935 Specdb::MsMs 2691936 Specdb::MsMs 2691937 Specdb::MsMs 2989991 Specdb::MsMs 2989992 Specdb::MsMs 2989993 HMDB35216 #<Reference:0x000055ce30be4ed0> Herbs and Spices Unknown generic