1.0 2010-04-08 22:12:03 UTC 2019-11-26 03:12:12 UTC FDB015779 Junicedral Isolated from Juniperus communis (juniper). Junicedral is found in fruits. 8(17)-Labdene-15,19-dial Junicedral C20H32O2 304.4669 304.240230268 1,4a-dimethyl-5-(3-methyl-5-oxopentyl)-6-methylidene-decahydronaphthalene-1-carbaldehyde 1,4a-dimethyl-5-(3-methyl-5-oxopentyl)-6-methylidene-hexahydro-2H-naphthalene-1-carbaldehyde 70901-87-0 CC(CCC1C(=C)CCC2C(C)(CCCC12C)C=O)CC=O InChI=1S/C20H32O2/c1-15(10-13-21)6-8-17-16(2)7-9-18-19(3,14-22)11-5-12-20(17,18)4/h13-15,17-18H,2,5-12H2,1,3-4H3 IGGYEFVJKTZVIB-UHFFFAOYSA-N belongs to the class of organic compounds known as diterpenoids. These are terpene compounds formed by four isoprene units. Diterpenoids Organic compounds Lipids and lipid-like molecules Prenol lipids Diterpenoids Aliphatic homopolycyclic compounds Alpha-hydrogen aldehydes Hydrocarbon derivatives Organic oxides Aldehyde Aliphatic homopolycyclic compound Alpha-hydrogen aldehyde Carbonyl group Diterpenoid Hydrocarbon derivative Labdane diterpenoid Organic oxide Organic oxygen compound Organooxygen compound logp 4.56 ALOGPS logs -5.97 ALOGPS solubility 3.30e-04 g/l ALOGPS logp 4.4 ChemAxon pka_strongest_acidic 16.13 ChemAxon pka_strongest_basic -6.7 ChemAxon iupac 1,4a-dimethyl-5-(3-methyl-5-oxopentyl)-6-methylidene-decahydronaphthalene-1-carbaldehyde ChemAxon average_mass 304.4669 ChemAxon mono_mass 304.240230268 ChemAxon smiles CC(CCC1C(=C)CCC2C(C)(CCCC12C)C=O)CC=O ChemAxon formula C20H32O2 ChemAxon inchi InChI=1S/C20H32O2/c1-15(10-13-21)6-8-17-16(2)7-9-18-19(3,14-22)11-5-12-20(17,18)4/h13-15,17-18H,2,5-12H2,1,3-4H3 ChemAxon inchikey IGGYEFVJKTZVIB-UHFFFAOYSA-N ChemAxon polar_surface_area 34.14 ChemAxon refractivity 90.96 ChemAxon polarizability 36.2 ChemAxon rotatable_bond_count 6 ChemAxon acceptor_count 2 ChemAxon donor_count 0 ChemAxon physiological_charge 0 ChemAxon formal_charge 0 ChemAxon Specdb::CMs 12070 Specdb::CMs 168226 Specdb::MsMs 78846 Specdb::MsMs 78847 Specdb::MsMs 78848 Specdb::MsMs 139305 Specdb::MsMs 139306 Specdb::MsMs 139307 Specdb::MsMs 2838801 Specdb::MsMs 2838802 Specdb::MsMs 2838803 Specdb::MsMs 2869596 Specdb::MsMs 2869597 Specdb::MsMs 2869598 HMDB36830 #<Reference:0x000055ce328ef0c0> Fruits Unknown generic