1.0 2010-04-08 22:11:02 UTC 2019-11-26 03:09:26 UTC FDB014029 Blumealactone C Constituent of Blumea balsamifera (sambong). Blumealactone C is found in tea. (-)-Blumealactone C Blumealactone C C17H24O6 324.3689 324.1572885 2-hydroxy-5,9-dimethyl-14-methylidene-13-oxo-4,12-dioxatricyclo[9.3.0.0³,⁵]tetradecan-10-yl acetate 2-hydroxy-5,9-dimethyl-14-methylidene-13-oxo-4,12-dioxatricyclo[9.3.0.0³,⁵]tetradecan-10-yl acetate 111545-48-3 CC1CCCC2(C)OC2C(O)C2C(OC(=O)C2=C)C1OC(C)=O InChI=1S/C17H24O6/c1-8-6-5-7-17(4)15(23-17)12(19)11-9(2)16(20)22-14(11)13(8)21-10(3)18/h8,11-15,19H,2,5-7H2,1,3-4H3 ZZIWIHVMLLHIPS-UHFFFAOYSA-N belongs to the class of organic compounds known as terpene lactones. These are prenol lipids containing a lactone ring. Terpene lactones Organic compounds Lipids and lipid-like molecules Prenol lipids Terpene lactones Aliphatic heteropolycyclic compounds Carbonyl compounds Dialkyl ethers Dicarboxylic acids and derivatives Enoate esters Epoxides Gamma butyrolactones Germacrane sesquiterpenoids Hydrocarbon derivatives Organic oxides Oxacyclic compounds Secondary alcohols Tetrahydrofurans Alcohol Aliphatic heteropolycyclic compound Alpha,beta-unsaturated carboxylic ester Carbonyl group Carboxylic acid derivative Carboxylic acid ester Dialkyl ether Dicarboxylic acid or derivatives Enoate ester Ether Gamma butyrolactone Germacrane sesquiterpenoid Hydrocarbon derivative Lactone Organic oxide Organic oxygen compound Organoheterocyclic compound Organooxygen compound Oxacycle Oxirane Secondary alcohol Sesquiterpenoid Terpene lactone Tetrahydrofuran logp 1.72 ALOGPS logs -1.98 ALOGPS solubility 3.41e+00 g/l ALOGPS melting_point Mp 247-250° logp 1.58 ChemAxon pka_strongest_acidic 5.6 ChemAxon pka_strongest_basic -3.4 ChemAxon iupac 2-hydroxy-5,9-dimethyl-14-methylidene-13-oxo-4,12-dioxatricyclo[9.3.0.0³,⁵]tetradecan-10-yl acetate ChemAxon average_mass 324.3689 ChemAxon mono_mass 324.1572885 ChemAxon smiles CC1CCCC2(C)OC2C(O)C2C(OC(=O)C2=C)C1OC(C)=O ChemAxon formula C17H24O6 ChemAxon inchi InChI=1S/C17H24O6/c1-8-6-5-7-17(4)15(23-17)12(19)11-9(2)16(20)22-14(11)13(8)21-10(3)18/h8,11-15,19H,2,5-7H2,1,3-4H3 ChemAxon inchikey ZZIWIHVMLLHIPS-UHFFFAOYSA-N ChemAxon polar_surface_area 85.36 ChemAxon refractivity 79.71 ChemAxon polarizability 33.1 ChemAxon rotatable_bond_count 2 ChemAxon acceptor_count 4 ChemAxon donor_count 1 ChemAxon physiological_charge 0 ChemAxon formal_charge 0 ChemAxon Specdb::CMs 15487 Specdb::CMs 44348 Specdb::CMs 164071 Specdb::NmrOneD 131098 Specdb::NmrOneD 131099 Specdb::NmrOneD 131100 Specdb::NmrOneD 131101 Specdb::NmrOneD 131102 Specdb::NmrOneD 131103 Specdb::NmrOneD 131104 Specdb::NmrOneD 131105 Specdb::NmrOneD 131106 Specdb::NmrOneD 131107 Specdb::NmrOneD 131108 Specdb::NmrOneD 131109 Specdb::NmrOneD 131110 Specdb::NmrOneD 131111 Specdb::NmrOneD 131112 Specdb::NmrOneD 131113 Specdb::NmrOneD 131114 Specdb::NmrOneD 131115 Specdb::NmrOneD 131116 Specdb::NmrOneD 131117 Specdb::MsMs 12740 Specdb::MsMs 12741 Specdb::MsMs 12742 Specdb::MsMs 19412 Specdb::MsMs 19413 Specdb::MsMs 19414 Specdb::MsMs 2693120 Specdb::MsMs 2693121 Specdb::MsMs 2693122 Specdb::MsMs 2985937 Specdb::MsMs 2985938 Specdb::MsMs 2985939 HMDB35357 #<Reference:0x000055ce32be7e30> Black tea Type 1 Green tea Type 1 Herbal tea Type 1 Red tea Type 1 Tea Type 1 specific Camellia sinensis 4442