1.0 2010-04-08 22:11:58 UTC 2018-05-29 01:20:45 UTC FDB015655 beta-Santalal Isolated from Santalum album (sandalwood) oil. Flavouring ingredient (E)-beta-Santalal b-Santal-3(15),10-dien-13-al b-Santalal C15H22O 218.3346 218.167065326 (2Z)-2-methyl-5-{2-methyl-3-methylidenebicyclo[2.2.1]heptan-2-yl}pent-2-enal (2Z)-2-methyl-5-{2-methyl-3-methylidenebicyclo[2.2.1]heptan-2-yl}pent-2-enal 59331-82-7 C\C(C=O)=C\CCC1(C)C2CCC(C2)C1=C InChI=1S/C15H22O/c1-11(10-16)5-4-8-15(3)12(2)13-6-7-14(15)9-13/h5,10,13-14H,2,4,6-9H2,1,3H3/b11-5- YFOIGZMLDYUPOI-WZUFQYTHSA-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 Aldehydes Enals Hydrocarbon derivatives Organic oxides Aldehyde Aliphatic homopolycyclic compound Alpha,beta-unsaturated aldehyde Carbonyl group Enal Hydrocarbon derivative Organic oxide Organic oxygen compound Organooxygen compound Sesquiterpenoid logp 4.76 ALOGPS logs -4.71 ALOGPS solubility 4.25e-03 g/l ALOGPS logp 3.55 ChemAxon pka_strongest_basic -4.2 ChemAxon iupac (2Z)-2-methyl-5-{2-methyl-3-methylidenebicyclo[2.2.1]heptan-2-yl}pent-2-enal ChemAxon average_mass 218.3346 ChemAxon mono_mass 218.167065326 ChemAxon smiles C\C(C=O)=C\CCC1(C)C2CCC(C2)C1=C ChemAxon formula C15H22O ChemAxon inchi InChI=1S/C15H22O/c1-11(10-16)5-4-8-15(3)12(2)13-6-7-14(15)9-13/h5,10,13-14H,2,4,6-9H2,1,3H3/b11-5- ChemAxon inchikey YFOIGZMLDYUPOI-WZUFQYTHSA-N ChemAxon polar_surface_area 17.07 ChemAxon refractivity 68.24 ChemAxon polarizability 26.41 ChemAxon rotatable_bond_count 4 ChemAxon acceptor_count 1 ChemAxon donor_count 0 ChemAxon physiological_charge 0 ChemAxon formal_charge 0 ChemAxon Specdb::CMs 15646 Specdb::CMs 158046 Specdb::MsMs 57117 Specdb::MsMs 57118 Specdb::MsMs 57119 Specdb::MsMs 112698 Specdb::MsMs 112699 Specdb::MsMs 112700 Specdb::MsMs 2839902 Specdb::MsMs 2839903 Specdb::MsMs 2839904 Specdb::MsMs 2869290 Specdb::MsMs 2869291 Specdb::MsMs 2869292 HMDB36718 #<Reference:0x000055ce31f715c0>