1.0 2010-04-08 22:12:02 UTC 2019-11-26 03:12:09 UTC FDB015751 8(17),12-Labdadiene-15,16-dial Constituent of Alpinia galanga (greater galangal). 8(17),12-Labdadiene-15,16-dial is found in herbs and spices and ginger. 8(17),12-Labdadiene-15,16-dial Labda-8beta(17),12E-diene-15,16-dial C20H30O2 302.451 302.224580204 (2E)-2-[2-(5,5,8a-trimethyl-2-methylidene-decahydronaphthalen-1-yl)ethylidene]butanedial (2E)-2-[2-(5,5,8a-trimethyl-2-methylidene-hexahydro-1H-naphthalen-1-yl)ethylidene]butanedial 104263-85-6 CC1(C)CCCC2(C)C(C\C=C(/CC=O)C=O)C(=C)CCC12 InChI=1S/C20H30O2/c1-15-6-9-18-19(2,3)11-5-12-20(18,4)17(15)8-7-16(14-22)10-13-21/h7,13-14,17-18H,1,5-6,8-12H2,2-4H3/b16-7+ TZCSIFOYBLPUIF-FRKPEAEDSA-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 Enals Hydrocarbon derivatives Organic oxides Aldehyde Aliphatic homopolycyclic compound Alpha,beta-unsaturated aldehyde Alpha-hydrogen aldehyde Carbonyl group Diterpenoid Enal Hydrocarbon derivative Labdane diterpenoid Organic oxide Organic oxygen compound Organooxygen compound logp 4.97 ALOGPS logs -5.42 ALOGPS solubility 1.14e-03 g/l ALOGPS logp 3.99 ChemAxon pka_strongest_acidic 12.17 ChemAxon pka_strongest_basic -4.8 ChemAxon iupac (2E)-2-[2-(5,5,8a-trimethyl-2-methylidene-decahydronaphthalen-1-yl)ethylidene]butanedial ChemAxon average_mass 302.451 ChemAxon mono_mass 302.224580204 ChemAxon smiles CC1(C)CCCC2(C)C(C\C=C(/CC=O)C=O)C(=C)CCC12 ChemAxon formula C20H30O2 ChemAxon inchi InChI=1S/C20H30O2/c1-15-6-9-18-19(2,3)11-5-12-20(18,4)17(15)8-7-16(14-22)10-13-21/h7,13-14,17-18H,1,5-6,8-12H2,2-4H3/b16-7+ ChemAxon inchikey TZCSIFOYBLPUIF-FRKPEAEDSA-N ChemAxon polar_surface_area 34.14 ChemAxon refractivity 91.81 ChemAxon polarizability 35.87 ChemAxon rotatable_bond_count 5 ChemAxon acceptor_count 2 ChemAxon donor_count 0 ChemAxon physiological_charge 0 ChemAxon formal_charge 0 ChemAxon Specdb::CMs 21430 Specdb::CMs 130648 Specdb::CMs 138382 Specdb::MsMs 93735 Specdb::MsMs 93736 Specdb::MsMs 93737 Specdb::MsMs 157560 Specdb::MsMs 157561 Specdb::MsMs 157562 Specdb::MsMs 2681670 Specdb::MsMs 2681671 Specdb::MsMs 2681672 Specdb::MsMs 3026562 Specdb::MsMs 3026563 Specdb::MsMs 3026564 HMDB36805 #<Reference:0x000055ce335e4280> Ginger Type 1 specific Zingiber officinale 94328 Herbs and Spices Unknown generic Prostaglandin synthesis inhibitor 1258 A substance that diminishes the rate of a chemical reaction.