1.0 2010-04-08 22:10:28 UTC 2019-11-26 03:07:49 UTC FDB012987 Acevaltrate Production by Valeriana subspecies Acevaltrate is found in tea, fats and oils, and herbs and spices. (acetyloxy)valepotriate Acetovaltrate Acetoxyvalepotriate Acetoxyvaltrate Acevaltrat Acevaltrate [inn] Acevaltrate, INN Acevaltrato Acevaltratum C24H32O10 480.5049 480.199547244 4-[(acetyloxy)methyl]-1-[(3-methylbutanoyl)oxy]-6,7a-dihydro-1H-spiro[cyclopenta[c]pyran-7,2'-oxirane]-6-yl 3-(acetyloxy)-3-methylbutanoate acevaltrate 25161-41-5 CC(C)CC(=O)OC1OC=C(COC(C)=O)C2=CC(OC(=O)CC(C)(C)OC(C)=O)C3(CO3)C12 InChI=1S/C24H32O10/c1-13(2)7-19(27)33-22-21-17(16(11-30-22)10-29-14(3)25)8-18(24(21)12-31-24)32-20(28)9-23(5,6)34-15(4)26/h8,11,13,18,21-22H,7,9-10,12H2,1-6H3 FWKBQAVMKVZEOT-UHFFFAOYSA-N belongs to the class of organic compounds known as tetracarboxylic acids and derivatives. These are carboxylic acids containing exactly four carboxyl groups. Tetracarboxylic acids and derivatives Organic compounds Organic acids and derivatives Carboxylic acids and derivatives Tetracarboxylic acids and derivatives Aliphatic heteropolycyclic compounds Acetals Bicyclic monoterpenoids Carbonyl compounds Carboxylic acid esters Dialkyl ethers Epoxides Fatty acid esters Hydrocarbon derivatives Iridoids and derivatives Organic oxides Oxacyclic compounds Acetal Aliphatic heteropolycyclic compound Bicyclic monoterpenoid Carbonyl group Carboxylic acid ester Dialkyl ether Ether Fatty acid ester Fatty acyl Hydrocarbon derivative Iridoid-skeleton Monoterpenoid Organic oxide Organic oxygen compound Organoheterocyclic compound Organooxygen compound Oxacycle Oxirane Tetracarboxylic acid or derivatives logp 2.71 ALOGPS logs -4.39 ALOGPS solubility 1.97e-02 g/l ALOGPS melting_point Mp 83-84° logp 1.36 ChemAxon pka_strongest_acidic 18.24 ChemAxon pka_strongest_basic -4.1 ChemAxon iupac 4-[(acetyloxy)methyl]-1-[(3-methylbutanoyl)oxy]-6,7a-dihydro-1H-spiro[cyclopenta[c]pyran-7,2'-oxirane]-6-yl 3-(acetyloxy)-3-methylbutanoate ChemAxon average_mass 480.5049 ChemAxon mono_mass 480.199547244 ChemAxon smiles CC(C)CC(=O)OC1OC=C(COC(C)=O)C2=CC(OC(=O)CC(C)(C)OC(C)=O)C3(CO3)C12 ChemAxon formula C24H32O10 ChemAxon inchi InChI=1S/C24H32O10/c1-13(2)7-19(27)33-22-21-17(16(11-30-22)10-29-14(3)25)8-18(24(21)12-31-24)32-20(28)9-23(5,6)34-15(4)26/h8,11,13,18,21-22H,7,9-10,12H2,1-6H3 ChemAxon inchikey FWKBQAVMKVZEOT-UHFFFAOYSA-N ChemAxon polar_surface_area 126.96 ChemAxon refractivity 116.09 ChemAxon polarizability 49.76 ChemAxon rotatable_bond_count 13 ChemAxon acceptor_count 6 ChemAxon donor_count 0 ChemAxon physiological_charge 0 ChemAxon formal_charge 0 ChemAxon Specdb::CMs 25445 Specdb::CMs 161217 Specdb::MsMs 59043 Specdb::MsMs 59044 Specdb::MsMs 59045 Specdb::MsMs 115089 Specdb::MsMs 115090 Specdb::MsMs 115091 Specdb::MsMs 2816152 Specdb::MsMs 2816153 Specdb::MsMs 2816154 Specdb::MsMs 2892596 Specdb::MsMs 2892597 Specdb::MsMs 2892598 HMDB34494 #<Reference:0x000055ce325edc28> Black tea Type 1 Fats and oils Unknown generic Green tea Type 1 Herbal tea Type 1 Herbs and Spices Unknown generic Red tea Type 1 Tea Type 1 specific Camellia sinensis 4442