1.0 2010-04-08 22:13:30 UTC 2025-11-19 02:08:59 UTC FDB018111 Macrocarpal B Constituent of Eucalyptus globulus (Tasmanian blue gum) C28H40O6 472.6136 472.282489012 2,4,6-trihydroxy-5-(1-{5-hydroxy-1,1,2,5-tetramethyl-decahydro-1H-cyclopropa[e]azulen-2-yl}-3-methylbutyl)benzene-1,3-dicarbaldehyde 2,4,6-trihydroxy-5-(1-{5-hydroxy-1,1,2,5-tetramethyl-octahydrocyclopropa[e]azulen-2-yl}-3-methylbutyl)benzene-1,3-dicarbaldehyde 142698-60-0 CC(C)CC(C1=C(O)C(C=O)=C(O)C(C=O)=C1O)C1(C)CCC2C1C1C(CCC2(C)O)C1(C)C InChI=1S/C28H40O6/c1-14(2)11-19(20-24(32)15(12-29)23(31)16(13-30)25(20)33)27(5)9-7-18-22(27)21-17(26(21,3)4)8-10-28(18,6)34/h12-14,17-19,21-22,31-34H,7-11H2,1-6H3 IBLPTYJTKWQCDX-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 sesquiterpenoids Organic compounds Lipids and lipid-like molecules Prenol lipids Sesquiterpenoids Aromatic homopolycyclic compounds Acylphloroglucinols and derivatives Benzoyl derivatives Cyclic alcohols and derivatives Guaianes Hydrocarbon derivatives Hydroxybenzaldehydes Organic oxides Polyols Tertiary alcohols Vinylogous acids 5,10-cycloaromadendrane sesquiterpenoid Acylphloroglucinol derivative Alcohol Aldehyde Aromatic homopolycyclic compound Aryl-aldehyde Benzaldehyde Benzenetriol Benzenoid Benzoyl Cyclic alcohol Guaiane sesquiterpenoid Hydrocarbon derivative Hydroxybenzaldehyde Monocyclic benzene moiety Organic oxide Organic oxygen compound Organooxygen compound Phenol Phloroglucinol derivative Polyol Tertiary alcohol Vinylogous acid logp 4.30 ALOGPS logs -4.27 ALOGPS solubility 2.57e-02 g/l ALOGPS melting_point Mp 198-200° logp 7.63 ChemAxon pka_strongest_acidic 6.68 ChemAxon pka_strongest_basic -0.51 ChemAxon iupac 2,4,6-trihydroxy-5-(1-{5-hydroxy-1,1,2,5-tetramethyl-decahydro-1H-cyclopropa[e]azulen-2-yl}-3-methylbutyl)benzene-1,3-dicarbaldehyde ChemAxon average_mass 472.6136 ChemAxon mono_mass 472.282489012 ChemAxon smiles CC(C)CC(C1=C(O)C(C=O)=C(O)C(C=O)=C1O)C1(C)CCC2C1C1C(CCC2(C)O)C1(C)C ChemAxon formula C28H40O6 ChemAxon inchi InChI=1S/C28H40O6/c1-14(2)11-19(20-24(32)15(12-29)23(31)16(13-30)25(20)33)27(5)9-7-18-22(27)21-17(26(21,3)4)8-10-28(18,6)34/h12-14,17-19,21-22,31-34H,7-11H2,1-6H3 ChemAxon inchikey IBLPTYJTKWQCDX-UHFFFAOYSA-N ChemAxon polar_surface_area 115.06 ChemAxon refractivity 133.18 ChemAxon polarizability 51.68 ChemAxon rotatable_bond_count 6 ChemAxon acceptor_count 6 ChemAxon donor_count 4 ChemAxon physiological_charge -1 ChemAxon formal_charge 0 ChemAxon Specdb::CMs 10868 Specdb::CMs 45994 Specdb::CMs 162923 Specdb::MsMs 62580 Specdb::MsMs 62581 Specdb::MsMs 62582 Specdb::MsMs 119331 Specdb::MsMs 119332 Specdb::MsMs 119333 Specdb::MsMs 440506 Specdb::MsMs 440507 Specdb::MsMs 440543 Specdb::MsMs 440544 Specdb::MsMs 452265 Specdb::MsMs 452266 Specdb::MsMs 2844815 Specdb::MsMs 2844816 Specdb::MsMs 2844817 Specdb::MsMs 2860780 Specdb::MsMs 2860781 Specdb::MsMs 2860782 HMDB38704 #<Reference:0x000055ce3008a558>