1.0 2010-04-08 22:12:03 UTC 2019-11-26 03:12:13 UTC FDB015796 Lepidiumterpenoid Constituent of Lepidium sativum (garden cress). Lepidiumterpenoid is found in brassicas. C27H48O2 404.6688 404.36543078 (1E)-5-hydroxy-4,8,12-trimethyl-1-(2,6,6-trimethylcyclohex-1-en-1-yl)pentadec-1-en-7-one (1E)-5-hydroxy-4,8,12-trimethyl-1-(2,6,6-trimethylcyclohex-1-en-1-yl)pentadec-1-en-7-one 255833-56-8 CCCC(C)CCCC(C)C(=O)CC(O)C(C)C\C=C\C1=C(C)CCCC1(C)C InChI=1S/C27H48O2/c1-8-12-20(2)13-9-14-22(4)25(28)19-26(29)23(5)15-10-17-24-21(3)16-11-18-27(24,6)7/h10,17,20,22-23,26,29H,8-9,11-16,18-19H2,1-7H3/b17-10+ JSSNFOHEHRIBDT-LICLKQGHSA-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 homomonocyclic compounds Beta-hydroxy ketones Fatty alcohols Hydrocarbon derivatives Organic oxides Secondary alcohols Alcohol Aliphatic homomonocyclic compound Beta-hydroxy ketone Carbonyl group Diterpenoid Fatty acyl Fatty alcohol Hydrocarbon derivative Ketone Organic oxide Organic oxygen compound Organooxygen compound Secondary alcohol logp 7.51 ALOGPS logs -5.62 ALOGPS solubility 9.73e-04 g/l ALOGPS melting_point Mp 120-121° logp 8.03 ChemAxon pka_strongest_acidic 14.77 ChemAxon pka_strongest_basic -2.9 ChemAxon iupac (1E)-5-hydroxy-4,8,12-trimethyl-1-(2,6,6-trimethylcyclohex-1-en-1-yl)pentadec-1-en-7-one ChemAxon average_mass 404.6688 ChemAxon mono_mass 404.36543078 ChemAxon smiles CCCC(C)CCCC(C)C(=O)CC(O)C(C)C\C=C\C1=C(C)CCCC1(C)C ChemAxon formula C27H48O2 ChemAxon inchi InChI=1S/C27H48O2/c1-8-12-20(2)13-9-14-22(4)25(28)19-26(29)23(5)15-10-17-24-21(3)16-11-18-27(24,6)7/h10,17,20,22-23,26,29H,8-9,11-16,18-19H2,1-7H3/b17-10+ ChemAxon inchikey JSSNFOHEHRIBDT-LICLKQGHSA-N ChemAxon polar_surface_area 37.3 ChemAxon refractivity 127.59 ChemAxon polarizability 52.22 ChemAxon rotatable_bond_count 13 ChemAxon acceptor_count 2 ChemAxon donor_count 1 ChemAxon physiological_charge 0 ChemAxon formal_charge 0 ChemAxon Specdb::CMs 14393 Specdb::CMs 45071 Specdb::CMs 134850 Specdb::CMs 142584 Specdb::MsMs 44589 Specdb::MsMs 44590 Specdb::MsMs 44591 Specdb::MsMs 134376 Specdb::MsMs 134377 Specdb::MsMs 134378 Specdb::MsMs 2760497 Specdb::MsMs 2760498 Specdb::MsMs 2760499 Specdb::MsMs 2944641 Specdb::MsMs 2944642 Specdb::MsMs 2944643 HMDB36844 #<Reference:0x000055ce32317e40> Brassicas Unknown generic 3705