1.02010-04-08 22:12:03 UTC2019-11-26 03:12:13 UTCFDB015797CembreneConstituent of oil of Pinus koraiensis (Korean pine)
Cembrene A, or sometimes neocembrene, is a natural monocyclic diterpene isolated from corals of the genus Nephthea. It is a colorless oil with a faint wax-like odor. Cembrene is found in fats and oils and herbs and spices.(+)-cembrene(+)-thunbergen(1S,2E,7E,11E)-2,4(18),7,11-CembratraeneCembreneCembrene aThumbeleneThunbergenThunbergeneC20H32272.4681272.250401024(1Z,3E,6Z,10Z)-3,7,11-trimethyl-14-(propan-2-yl)cyclotetradeca-1,3,6,10-tetraene(1Z,3E,6Z,10Z)-14-isopropyl-3,7,11-trimethylcyclotetradeca-1,3,6,10-tetraene1898-13-1CC(C)C1CC\C(C)=C/CC\C(C)=C/C\C=C(/C)\C=C/1InChI=1S/C20H32/c1-16(2)20-14-12-18(4)10-6-8-17(3)9-7-11-19(5)13-15-20/h8,10-12,14,16,20H,6-7,9,13,15H2,1-5H3/b14-12-,17-8-,18-10+,19-11-DMHADBQKVWXPPM-ZRMRITCRSA-N belongs to the class of organic compounds known as cembrane diterpenoids. These are diterpenoids with a structure based a cembrane skeleton, which is characterized by the presence of an isopropyl group at C-1 and by three symmetrically disposed methyl groups a the t C-4, -8 and -12 positions.Cembrane diterpenoidsOrganic compoundsLipids and lipid-like moleculesPrenol lipidsDiterpenoidsAliphatic homomonocyclic compoundsBranched unsaturated hydrocarbonsCyclic olefinsUnsaturated aliphatic hydrocarbonsAliphatic homomonocyclic compoundBranched unsaturated hydrocarbonCembrane diterpenoidCyclic olefinHydrocarbonOlefinUnsaturated aliphatic hydrocarbonUnsaturated hydrocarbonlogp6.90logs-5.13solubility2.01e-03 g/lmelting_pointMp 58-59°logp6.52iupac(1Z,3E,6Z,10Z)-3,7,11-trimethyl-14-(propan-2-yl)cyclotetradeca-1,3,6,10-tetraeneaverage_mass272.4681mono_mass272.250401024smilesCC(C)C1CC\C(C)=C/CC\C(C)=C/C\C=C(/C)\C=C/1formulaC20H32inchiInChI=1S/C20H32/c1-16(2)20-14-12-18(4)10-6-8-17(3)9-7-11-19(5)13-15-20/h8,10-12,14,16,20H,6-7,9,13,15H2,1-5H3/b14-12-,17-8-,18-10+,19-11-inchikeyDMHADBQKVWXPPM-ZRMRITCRSA-Npolar_surface_area0refractivity95.42polarizability35.32rotatable_bond_count1acceptor_count0donor_count0physiological_charge0formal_charge0Specdb::CMs22230Specdb::MsMs79470Specdb::MsMs79471Specdb::MsMs79472Specdb::MsMs140088Specdb::MsMs140089Specdb::MsMs140090HMDB36845#<Reference:0x0000555675d48d68>#<Reference:0x0000555675d48ac0>Fats and oilsUnknowngenericHerbs and SpicesUnknowngeneric