1.0 2010-04-08 22:11:01 UTC 2019-11-26 03:09:22 UTC FDB013980 Galanal B Constituent of seeds of Alpinia galanga (greater galangal). Galanal B is found in herbs and spices. Galanal B C20H30O3 318.4504 318.219494826 7-hydroxy-4,4,11b-trimethyl-1H,2H,3H,4H,4aH,5H,6H,6aH,7H,8H,11H,11aH,11bH-cyclohepta[a]naphthalene-6a,9-dicarbaldehyde 7-hydroxy-4,4,11b-trimethyl-1H,2H,3H,4aH,5H,6H,7H,8H,11H,11aH-cyclohepta[a]naphthalene-6a,9-dicarbaldehyde 104086-74-0 CC1(C)CCCC2(C)C1CCC1(C=O)C2CC=C(CC1O)C=O InChI=1S/C20H30O3/c1-18(2)8-4-9-19(3)15(18)7-10-20(13-22)16(19)6-5-14(12-21)11-17(20)23/h5,12-13,15-17,23H,4,6-11H2,1-3H3 UDKRLAJJSYRYRU-UHFFFAOYSA-N belongs to the class of organic compounds known as secondary alcohols. Secondary alcohols are compounds containing a secondary alcohol functional group, with the general structure HOC(R)(R') (R,R'=alkyl, aryl). Secondary alcohols Organic compounds Organic oxygen compounds Organooxygen compounds Alcohols and polyols Aliphatic homopolycyclic compounds Aldehydes Hydrocarbon derivatives Organic oxides Aldehyde Aliphatic homopolycyclic compound Carbonyl group Hydrocarbon derivative Organic oxide Secondary alcohol logp 4.04 ALOGPS logs -4.14 ALOGPS solubility 2.30e-02 g/l ALOGPS melting_point Mp 134-134.5° logp 3.01 ChemAxon pka_strongest_acidic 14.45 ChemAxon pka_strongest_basic -3 ChemAxon iupac 7-hydroxy-4,4,11b-trimethyl-1H,2H,3H,4H,4aH,5H,6H,6aH,7H,8H,11H,11aH,11bH-cyclohepta[a]naphthalene-6a,9-dicarbaldehyde ChemAxon average_mass 318.4504 ChemAxon mono_mass 318.219494826 ChemAxon smiles CC1(C)CCCC2(C)C1CCC1(C=O)C2CC=C(CC1O)C=O ChemAxon formula C20H30O3 ChemAxon inchi InChI=1S/C20H30O3/c1-18(2)8-4-9-19(3)15(18)7-10-20(13-22)16(19)6-5-14(12-21)11-17(20)23/h5,12-13,15-17,23H,4,6-11H2,1-3H3 ChemAxon inchikey UDKRLAJJSYRYRU-UHFFFAOYSA-N ChemAxon polar_surface_area 54.37 ChemAxon refractivity 91.67 ChemAxon polarizability 36.01 ChemAxon rotatable_bond_count 2 ChemAxon acceptor_count 3 ChemAxon donor_count 1 ChemAxon physiological_charge 0 ChemAxon formal_charge 0 ChemAxon Specdb::CMs 25767 Specdb::CMs 44318 Specdb::CMs 135487 Specdb::CMs 143221 Specdb::MsMs 62757 Specdb::MsMs 62758 Specdb::MsMs 62759 Specdb::MsMs 119556 Specdb::MsMs 119557 Specdb::MsMs 119558 Specdb::MsMs 2835723 Specdb::MsMs 2835724 Specdb::MsMs 2835725 Specdb::MsMs 2873393 Specdb::MsMs 2873394 Specdb::MsMs 2873395 HMDB35311 Herbs and Spices Unknown generic