1.0 2010-04-08 22:10:59 UTC 2018-05-29 01:08:45 UTC FDB013938 8alpha-13(16),14-Labdadien-8-ol Constituent of the needles of Pinus sylvestris (Scotch pine) Isoabienol C20H34O 290.4834 290.26096571 2,5,5,8a-tetramethyl-1-(3-methylidenepent-4-en-1-yl)-decahydronaphthalen-2-ol 2,5,5,8a-tetramethyl-1-(3-methylidenepent-4-en-1-yl)-hexahydro-1H-naphthalen-2-ol 10207-79-1 CC1(C)CCCC2(C)C(CCC(=C)C=C)C(C)(O)CCC12 InChI=1S/C20H34O/c1-7-15(2)9-10-17-19(5)13-8-12-18(3,4)16(19)11-14-20(17,6)21/h7,16-17,21H,1-2,8-14H2,3-6H3 JTWQQJDENGGSBJ-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 Cyclic alcohols and derivatives Hydrocarbon derivatives Tertiary alcohols Alcohol Aliphatic homopolycyclic compound Cyclic alcohol Diterpenoid Hydrocarbon derivative Labdane diterpenoid Organic oxygen compound Organooxygen compound Tertiary alcohol logp 5.17 ALOGPS logs -6.12 ALOGPS solubility 2.20e-04 g/l ALOGPS melting_point Mp 68-68.5° logp 5.23 ChemAxon pka_strongest_basic -0.44 ChemAxon iupac 2,5,5,8a-tetramethyl-1-(3-methylidenepent-4-en-1-yl)-decahydronaphthalen-2-ol ChemAxon average_mass 290.4834 ChemAxon mono_mass 290.26096571 ChemAxon smiles CC1(C)CCCC2(C)C(CCC(=C)C=C)C(C)(O)CCC12 ChemAxon formula C20H34O ChemAxon inchi InChI=1S/C20H34O/c1-7-15(2)9-10-17-19(5)13-8-12-18(3,4)16(19)11-14-20(17,6)21/h7,16-17,21H,1-2,8-14H2,3-6H3 ChemAxon inchikey JTWQQJDENGGSBJ-UHFFFAOYSA-N ChemAxon polar_surface_area 20.23 ChemAxon refractivity 91.16 ChemAxon polarizability 36.22 ChemAxon rotatable_bond_count 4 ChemAxon acceptor_count 1 ChemAxon donor_count 1 ChemAxon physiological_charge 0 ChemAxon formal_charge 0 ChemAxon Specdb::CMs 19521 Specdb::CMs 44295 Specdb::CMs 162904 Specdb::MsMs 9203 Specdb::MsMs 9204 Specdb::MsMs 9205 Specdb::MsMs 15875 Specdb::MsMs 15876 Specdb::MsMs 15877 Specdb::MsMs 2739940 Specdb::MsMs 2739941 Specdb::MsMs 2739942 Specdb::MsMs 2938773 Specdb::MsMs 2938774 Specdb::MsMs 2938775 HMDB35276 #<Reference:0x000055ce321b59a8>