1.0 2010-04-08 22:15:45 UTC 2019-11-26 03:20:29 UTC FDB021515 Piperenol A triacetate Constituent of Piper cubeba (cubeb pepper). Piperenol A triacetate is found in herbs and spices. Piperenol A triacetate C27H26O10 510.4893 510.152597052 [3,4,6-tris(acetyloxy)-5-(benzoyloxy)cyclohex-1-en-1-yl]methyl benzoate [3,4,6-tris(acetyloxy)-5-(benzoyloxy)cyclohex-1-en-1-yl]methyl benzoate 134476-92-9 CC(=O)OC1C=C(COC(=O)C2=CC=CC=C2)C(OC(C)=O)C(OC(=O)C2=CC=CC=C2)C1OC(C)=O InChI=1S/C27H26O10/c1-16(28)34-22-14-21(15-33-26(31)19-10-6-4-7-11-19)23(35-17(2)29)25(24(22)36-18(3)30)37-27(32)20-12-8-5-9-13-20/h4-14,22-25H,15H2,1-3H3 UGMVPWAZGUPKPL-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 homomonocyclic compounds Benzoic acid esters Benzoyl derivatives Carbonyl compounds Carboxylic acid esters Cyclitols and derivatives Hydrocarbon derivatives Organic oxides Aromatic homomonocyclic compound Benzenoid Benzoate ester Benzoic acid or derivatives Benzoyl Carbonyl group Carboxylic acid ester Cyclitol or derivatives Hydrocarbon derivative Monocyclic benzene moiety Organic oxide Organic oxygen compound Organooxygen compound Pentacarboxylic acid or derivatives logp 3.17 ALOGPS logs -5.00 ALOGPS solubility 5.10e-03 g/l ALOGPS melting_point Mp 118-119° logp 3.28 ChemAxon pka_strongest_basic -6.3 ChemAxon iupac [3,4,6-tris(acetyloxy)-5-(benzoyloxy)cyclohex-1-en-1-yl]methyl benzoate ChemAxon average_mass 510.4893 ChemAxon mono_mass 510.152597052 ChemAxon smiles CC(=O)OC1C=C(COC(=O)C2=CC=CC=C2)C(OC(C)=O)C(OC(=O)C2=CC=CC=C2)C1OC(C)=O ChemAxon formula C27H26O10 ChemAxon inchi InChI=1S/C27H26O10/c1-16(28)34-22-14-21(15-33-26(31)19-10-6-4-7-11-19)23(35-17(2)29)25(24(22)36-18(3)30)37-27(32)20-12-8-5-9-13-20/h4-14,22-25H,15H2,1-3H3 ChemAxon inchikey UGMVPWAZGUPKPL-UHFFFAOYSA-N ChemAxon polar_surface_area 131.5 ChemAxon refractivity 127.32 ChemAxon polarizability 50.79 ChemAxon rotatable_bond_count 13 ChemAxon acceptor_count 5 ChemAxon donor_count 0 ChemAxon physiological_charge 0 ChemAxon formal_charge 0 ChemAxon Specdb::CMs 9358 Specdb::MsMs 286663 Specdb::MsMs 286664 Specdb::MsMs 286665 Specdb::MsMs 325306 Specdb::MsMs 325307 Specdb::MsMs 325308 Specdb::MsMs 2744178 Specdb::MsMs 2744179 Specdb::MsMs 2744180 Specdb::MsMs 2934812 Specdb::MsMs 2934813 Specdb::MsMs 2934814 HMDB41535 #<Reference:0x000055ce3024d250> Herbs and Spices Unknown generic