1.0 2010-04-08 22:14:14 UTC 2025-11-19 02:18:17 UTC FDB019245 Piperenol B Isolated from Piper cubeba (cubeb pepper). Piperenol B is found in herbs and spices. Piperenol B C21H20O7 384.3793 384.120902994 [4-(benzoyloxy)-1,5,6-trihydroxycyclohex-2-en-1-yl]methyl benzoate [4-(benzoyloxy)-1,5,6-trihydroxycyclohex-2-en-1-yl]methyl benzoate 134476-91-8 OC1C(O)C(O)(COC(=O)C2=CC=CC=C2)C=CC1OC(=O)C1=CC=CC=C1 InChI=1S/C21H20O7/c22-17-16(28-20(25)15-9-5-2-6-10-15)11-12-21(26,18(17)23)13-27-19(24)14-7-3-1-4-8-14/h1-12,16-18,22-23,26H,13H2 PCFGXGDGOLIQTE-UHFFFAOYSA-N belongs to the class of organic compounds known as benzoic acid esters. These are ester derivatives of benzoic acid. Benzoic acid esters Organic compounds Benzenoids Benzene and substituted derivatives Benzoic acids and derivatives Aromatic homomonocyclic compounds Benzoyl derivatives Carboxylic acid esters Cyclitols and derivatives Dicarboxylic acids and derivatives Hydrocarbon derivatives Organic oxides Polyols Secondary alcohols Tertiary alcohols Alcohol Aromatic homomonocyclic compound Benzoate ester Benzoyl Carboxylic acid derivative Carboxylic acid ester Cyclitol or derivatives Dicarboxylic acid or derivatives Hydrocarbon derivative Organic oxide Organic oxygen compound Organooxygen compound Polyol Secondary alcohol Tertiary alcohol logp 1.78 ALOGPS logs -3.11 ALOGPS solubility 3.01e-01 g/l ALOGPS logp 2.23 ChemAxon pka_strongest_acidic 12.3 ChemAxon pka_strongest_basic -3.7 ChemAxon iupac [4-(benzoyloxy)-1,5,6-trihydroxycyclohex-2-en-1-yl]methyl benzoate ChemAxon average_mass 384.3793 ChemAxon mono_mass 384.120902994 ChemAxon smiles OC1C(O)C(O)(COC(=O)C2=CC=CC=C2)C=CC1OC(=O)C1=CC=CC=C1 ChemAxon formula C21H20O7 ChemAxon inchi InChI=1S/C21H20O7/c22-17-16(28-20(25)15-9-5-2-6-10-15)11-12-21(26,18(17)23)13-27-19(24)14-7-3-1-4-8-14/h1-12,16-18,22-23,26H,13H2 ChemAxon inchikey PCFGXGDGOLIQTE-UHFFFAOYSA-N ChemAxon polar_surface_area 113.29 ChemAxon refractivity 99.99 ChemAxon polarizability 38.75 ChemAxon rotatable_bond_count 7 ChemAxon acceptor_count 5 ChemAxon donor_count 3 ChemAxon physiological_charge 0 ChemAxon formal_charge 0 ChemAxon Specdb::CMs 15696 Specdb::CMs 46490 Specdb::CMs 158753 Specdb::MsMs 6902 Specdb::MsMs 6903 Specdb::MsMs 6904 Specdb::MsMs 8363 Specdb::MsMs 8364 Specdb::MsMs 8365 Specdb::MsMs 13574 Specdb::MsMs 13575 Specdb::MsMs 13576 Specdb::MsMs 15035 Specdb::MsMs 15036 Specdb::MsMs 15037 Specdb::MsMs 2414722 Specdb::MsMs 2414723 Specdb::MsMs 2414724 Specdb::MsMs 2551787 Specdb::MsMs 2551788 Specdb::MsMs 2551789 HMDB39617 #<Reference:0x000055ce328ca270> Herbs and Spices Unknown generic