1.0 2010-04-08 22:14:10 UTC 2018-05-29 01:40:34 UTC FDB019138 Dihydro-alpha-santalic acid Constituent of East Indian sandalwood oil a-Santalan-12-oic acid Dihydro-a-santalic acid C15H24O2 236.3499 236.177630012 5-{2,3-dimethyltricyclo[2.2.1.0²,⁶]heptan-3-yl}-2-methylpentanoic acid 5-{2,3-dimethyltricyclo[2.2.1.0²,⁶]heptan-3-yl}-2-methylpentanoic acid CC(CCCC1(C)C2CC3C(C2)C13C)C(O)=O InChI=1S/C15H24O2/c1-9(13(16)17)5-4-6-14(2)10-7-11-12(8-10)15(11,14)3/h9-12H,4-8H2,1-3H3,(H,16,17) GDGGAJNITUJKMP-UHFFFAOYSA-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 Carbocyclic fatty acids Carbonyl compounds Carboxylic acids Hydrocarbon derivatives Medium-chain fatty acids Methyl-branched fatty acids Monocarboxylic acids and derivatives Organic oxides Aliphatic homopolycyclic compound Branched fatty acid Carbocyclic 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 Santalane sesquiterpenoid Sesquiterpenoid logp 3.56 ALOGPS logs -4.37 ALOGPS solubility 1.02e-02 g/l ALOGPS logp 3.44 ChemAxon pka_strongest_acidic 4.88 ChemAxon iupac 5-{2,3-dimethyltricyclo[2.2.1.0²,⁶]heptan-3-yl}-2-methylpentanoic acid ChemAxon average_mass 236.3499 ChemAxon mono_mass 236.177630012 ChemAxon smiles CC(CCCC1(C)C2CC3C(C2)C13C)C(O)=O ChemAxon formula C15H24O2 ChemAxon inchi InChI=1S/C15H24O2/c1-9(13(16)17)5-4-6-14(2)10-7-11-12(8-10)15(11,14)3/h9-12H,4-8H2,1-3H3,(H,16,17) ChemAxon inchikey GDGGAJNITUJKMP-UHFFFAOYSA-N ChemAxon polar_surface_area 37.3 ChemAxon refractivity 66.54 ChemAxon polarizability 27.83 ChemAxon rotatable_bond_count 5 ChemAxon acceptor_count 2 ChemAxon donor_count 1 ChemAxon physiological_charge -1 ChemAxon formal_charge 0 ChemAxon Specdb::CMs 22311 Specdb::CMs 46448 Specdb::CMs 171657 Specdb::MsMs 105717 Specdb::MsMs 105718 Specdb::MsMs 105719 Specdb::MsMs 172269 Specdb::MsMs 172270 Specdb::MsMs 172271 Specdb::MsMs 2792189 Specdb::MsMs 2792190 Specdb::MsMs 2792191 Specdb::MsMs 2917514 Specdb::MsMs 2917515 Specdb::MsMs 2917516 HMDB39525 #<Reference:0x000055ce316c1a10>