1.0 2010-04-08 22:14:14 UTC 2018-05-29 01:41:11 UTC FDB019249 beta-Santalic acid Flavouring ingredient. Constituent of Santalum album (sandalwood) oil b-Santala-3(15),10-dien-12-oic acid b-Santalic acid C15H22O2 234.334 234.161979948 (2Z)-2-methyl-5-{2-methyl-3-methylidenebicyclo[2.2.1]heptan-2-yl}pent-2-enoic acid (2Z)-2-methyl-5-{2-methyl-3-methylidenebicyclo[2.2.1]heptan-2-yl}pent-2-enoic acid 73590-17-7 C\C(=C\CCC1(C)C2CCC(C2)C1=C)C(O)=O InChI=1S/C15H22O2/c1-10(14(16)17)5-4-8-15(3)11(2)12-6-7-13(15)9-12/h5,12-13H,2,4,6-9H2,1,3H3,(H,16,17)/b10-5- PMCPDNGTLRPFQQ-YHYXMXQVSA-N belongs to the class of organic compounds known as sesquiterpenoids. These are terpenes with three consecutive isoprene units. Sesquiterpenoids Organic compounds Lipids and lipid-like molecules Prenol lipids Sesquiterpenoids Aliphatic homopolycyclic compounds Carbonyl compounds Carboxylic acids Hydrocarbon derivatives Medium-chain fatty acids Methyl-branched fatty acids Monocarboxylic acids and derivatives Organic oxides Unsaturated fatty acids Aliphatic homopolycyclic compound Branched fatty acid Carbonyl group Carboxylic acid Carboxylic acid derivative Fatty acid Fatty acyl Hydrocarbon derivative Medium-chain fatty acid Methyl-branched fatty acid Monocarboxylic acid or derivatives Organic oxide Organic oxygen compound Organooxygen compound Sesquiterpenoid Unsaturated fatty acid logp 4.49 ALOGPS logs -4.19 ALOGPS solubility 1.50e-02 g/l ALOGPS logp 3.71 ChemAxon pka_strongest_acidic 5.06 ChemAxon iupac (2Z)-2-methyl-5-{2-methyl-3-methylidenebicyclo[2.2.1]heptan-2-yl}pent-2-enoic acid ChemAxon average_mass 234.334 ChemAxon mono_mass 234.161979948 ChemAxon smiles C\C(=C\CCC1(C)C2CCC(C2)C1=C)C(O)=O ChemAxon formula C15H22O2 ChemAxon inchi InChI=1S/C15H22O2/c1-10(14(16)17)5-4-8-15(3)11(2)12-6-7-13(15)9-12/h5,12-13H,2,4,6-9H2,1,3H3,(H,16,17)/b10-5- ChemAxon inchikey PMCPDNGTLRPFQQ-YHYXMXQVSA-N ChemAxon polar_surface_area 37.3 ChemAxon refractivity 69.17 ChemAxon polarizability 27.37 ChemAxon rotatable_bond_count 4 ChemAxon acceptor_count 2 ChemAxon donor_count 1 ChemAxon physiological_charge -1 ChemAxon formal_charge 0 ChemAxon Specdb::CMs 20143 Specdb::CMs 46491 Specdb::CMs 133082 Specdb::CMs 140816 Specdb::MsMs 75354 Specdb::MsMs 75355 Specdb::MsMs 75356 Specdb::MsMs 134982 Specdb::MsMs 134983 Specdb::MsMs 134984 Specdb::MsMs 2663785 Specdb::MsMs 2663786 Specdb::MsMs 2663787 Specdb::MsMs 3015126 Specdb::MsMs 3015127 Specdb::MsMs 3015128 HMDB39621 #<Reference:0x000055ce32dff718>