1.02010-04-08 22:13:30 UTC2018-05-29 01:34:57 UTCFDB018112Macrocarpal CIsolated from Eucalyptus globulus (Tasmanian blue gum)Macrocarpal CC28H38O5454.5983454.2719243262,4,6-trihydroxy-5-(3-methyl-1-{1,1,2-trimethyl-5-methylidene-decahydro-1H-cyclopropa[e]azulen-2-yl}butyl)benzene-1,3-dicarbaldehyde2,4,6-trihydroxy-5-(3-methyl-1-{1,1,2-trimethyl-5-methylidene-octahydrocyclopropa[e]azulen-2-yl}butyl)benzene-1,3-dicarbaldehyde142628-53-3CC(C)CC(C1=C(O)C(C=O)=C(O)C(C=O)=C1O)C1(C)CCC2C1C1C(CCC2=C)C1(C)CInChI=1S/C28H38O5/c1-14(2)11-20(21-25(32)17(12-29)24(31)18(13-30)26(21)33)28(6)10-9-16-15(3)7-8-19-23(22(16)28)27(19,4)5/h12-14,16,19-20,22-23,31-33H,3,7-11H2,1-2,4-6H3IEWHEHWXBLPFER-UHFFFAOYSA-N belongs to the class of organic compounds known as 5,10-cycloaromadendrane sesquiterpenoids. These are aromadendrane sesquiterpenoids that arise from the C5-C10 cyclization of the aromadendrane skeleton.5,10-cycloaromadendrane sesquiterpenoidsOrganic compoundsLipids and lipid-like moleculesPrenol lipidsSesquiterpenoidsAromatic homopolycyclic compoundsAcylphloroglucinols and derivativesBenzoyl derivativesGuaianesHydrocarbon derivativesHydroxybenzaldehydesOrganic oxidesPolyolsVinylogous acids5,10-cycloaromadendrane sesquiterpenoidAcylphloroglucinol derivativeAldehydeAromatic homopolycyclic compoundAryl-aldehydeBenzaldehydeBenzenetriolBenzenoidBenzoylGuaiane sesquiterpenoidHydrocarbon derivativeHydroxybenzaldehydeMonocyclic benzene moietyOrganic oxideOrganic oxygen compoundOrganooxygen compoundPhenolPhloroglucinol derivativePolyolVinylogous acidlogp4.79logs-4.41solubility1.77e-02 g/llogp8.6pka_strongest_acidic6.68pka_strongest_basic-5.4iupac2,4,6-trihydroxy-5-(3-methyl-1-{1,1,2-trimethyl-5-methylidene-decahydro-1H-cyclopropa[e]azulen-2-yl}butyl)benzene-1,3-dicarbaldehydeaverage_mass454.5983mono_mass454.271924326smilesCC(C)CC(C1=C(O)C(C=O)=C(O)C(C=O)=C1O)C1(C)CCC2C1C1C(CCC2=C)C1(C)CformulaC28H38O5inchiInChI=1S/C28H38O5/c1-14(2)11-20(21-25(32)17(12-29)24(31)18(13-30)26(21)33)28(6)10-9-16-15(3)7-8-19-23(22(16)28)27(19,4)5/h12-14,16,19-20,22-23,31-33H,3,7-11H2,1-2,4-6H3inchikeyIEWHEHWXBLPFER-UHFFFAOYSA-Npolar_surface_area94.83refractivity131.28polarizability50.26rotatable_bond_count6acceptor_count5donor_count3physiological_charge-1formal_charge0Specdb::CMs20911Specdb::CMs45995Specdb::CMs160872Specdb::MsMs76929Specdb::MsMs76930Specdb::MsMs76931Specdb::MsMs136896Specdb::MsMs136897Specdb::MsMs136898Specdb::MsMs2351452Specdb::MsMs2351453Specdb::MsMs2351454Specdb::MsMs2584286Specdb::MsMs2584287Specdb::MsMs2584288HMDB38705#<Reference:0x0000555674fa69d0>