1.0 2010-04-08 22:15:45 UTC 2019-11-26 03:20:29 UTC FDB021516 Piperenol C Constituent of Piper cubeba (cubeb pepper). Piperenol C is found in herbs and spices. Piperenol C C22H24O10 448.42 448.136946988 [3,4,5,6-tetrakis(acetyloxy)cyclohex-1-en-1-yl]methyl benzoate [3,4,5,6-tetrakis(acetyloxy)cyclohex-1-en-1-yl]methyl benzoate 174819-31-9 CC(=O)OC1C=C(COC(=O)C2=CC=CC=C2)C(OC(C)=O)C(OC(C)=O)C1OC(C)=O InChI=1S/C22H24O10/c1-12(23)29-18-10-17(11-28-22(27)16-8-6-5-7-9-16)19(30-13(2)24)21(32-15(4)26)20(18)31-14(3)25/h5-10,18-21H,11H2,1-4H3 DNKKICSBPVSNIP-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 2.04 ALOGPS logs -3.80 ALOGPS solubility 7.18e-02 g/l ALOGPS logp 1.23 ChemAxon pka_strongest_basic -6.3 ChemAxon iupac [3,4,5,6-tetrakis(acetyloxy)cyclohex-1-en-1-yl]methyl benzoate ChemAxon average_mass 448.42 ChemAxon mono_mass 448.136946988 ChemAxon smiles CC(=O)OC1C=C(COC(=O)C2=CC=CC=C2)C(OC(C)=O)C(OC(C)=O)C1OC(C)=O ChemAxon formula C22H24O10 ChemAxon inchi InChI=1S/C22H24O10/c1-12(23)29-18-10-17(11-28-22(27)16-8-6-5-7-9-16)19(30-13(2)24)21(32-15(4)26)20(18)31-14(3)25/h5-10,18-21H,11H2,1-4H3 ChemAxon inchikey DNKKICSBPVSNIP-UHFFFAOYSA-N ChemAxon polar_surface_area 131.5 ChemAxon refractivity 106.65 ChemAxon polarizability 43.86 ChemAxon rotatable_bond_count 12 ChemAxon acceptor_count 5 ChemAxon donor_count 0 ChemAxon physiological_charge 0 ChemAxon formal_charge 0 ChemAxon Specdb::CMs 16534 Specdb::CMs 153354 Specdb::MsMs 302539 Specdb::MsMs 302540 Specdb::MsMs 302541 Specdb::MsMs 345289 Specdb::MsMs 345290 Specdb::MsMs 345291 Specdb::MsMs 2444068 Specdb::MsMs 2444069 Specdb::MsMs 2444070 Specdb::MsMs 2522331 Specdb::MsMs 2522332 Specdb::MsMs 2522333 HMDB41536 #<Reference:0x000055ce31cd41c8> Herbs and Spices Unknown generic