1.0 2010-04-08 22:05:11 UTC 2018-05-28 22:11:10 UTC FDB001975 Euglobal III Constituent of Eucalyptus globulus (Tasmanian blue gum). C28H38O5 454.5983 454.271924326 (7Z)-14,16-dihydroxy-1,5,5,8-tetramethyl-12-(2-methylpropyl)-19-oxatetracyclo[9.8.0.0⁴,⁶.0¹³,¹⁸]nonadeca-7,13,15,17-tetraene-15,17-dicarbaldehyde (7Z)-14,16-dihydroxy-1,5,5,8-tetramethyl-12-(2-methylpropyl)-19-oxatetracyclo[9.8.0.0⁴,⁶.0¹³,¹⁸]nonadeca-7,13,15,17-tetraene-15,17-dicarbaldehyde 76449-26-8 CC(C)CC1C2CC\C(C)=C/C3C(CCC2(C)OC2=C(C=O)C(O)=C(C=O)C(O)=C12)C3(C)C InChI=1S/C28H38O5/c1-15(2)11-17-20-8-7-16(3)12-22-21(27(22,4)5)9-10-28(20,6)33-26-19(14-30)24(31)18(13-29)25(32)23(17)26/h12-15,17,20-22,31-32H,7-11H2,1-6H3/b16-12- AGTXIGWLMDUUMQ-VBKFSLOCSA-N belongs to the class of organic compounds known as 1-benzopyrans. These are organic aromatic compounds that 1-benzopyran, a bicyclic compound made up of a benzene ring fused to a pyran, so that the oxygen atom is at the 1-position. 1-benzopyrans Organic compounds Organoheterocyclic compounds Benzopyrans 1-benzopyrans Aromatic heteropolycyclic compounds Alkyl aryl ethers Aryl-aldehydes Benzenoids Hydrocarbon derivatives Organic oxides Oxacyclic compounds Vinylogous acids 1-benzopyran Aldehyde Alkyl aryl ether Aromatic heteropolycyclic compound Aryl-aldehyde Benzenoid Ether Hydrocarbon derivative Organic oxide Organic oxygen compound Organooxygen compound Oxacycle Vinylogous acid logp 5.33 ALOGPS logs -4.98 ALOGPS solubility 4.74e-03 g/l ALOGPS melting_point Mp 169-171° logp 8.01 ChemAxon pka_strongest_acidic 6.88 ChemAxon pka_strongest_basic -4.9 ChemAxon iupac (7Z)-14,16-dihydroxy-1,5,5,8-tetramethyl-12-(2-methylpropyl)-19-oxatetracyclo[9.8.0.0⁴,⁶.0¹³,¹⁸]nonadeca-7,13,15,17-tetraene-15,17-dicarbaldehyde ChemAxon average_mass 454.5983 ChemAxon mono_mass 454.271924326 ChemAxon smiles CC(C)CC1C2CC\C(C)=C/C3C(CCC2(C)OC2=C(C=O)C(O)=C(C=O)C(O)=C12)C3(C)C ChemAxon formula C28H38O5 ChemAxon inchi InChI=1S/C28H38O5/c1-15(2)11-17-20-8-7-16(3)12-22-21(27(22,4)5)9-10-28(20,6)33-26-19(14-30)24(31)18(13-29)25(32)23(17)26/h12-15,17,20-22,31-32H,7-11H2,1-6H3/b16-12- ChemAxon inchikey AGTXIGWLMDUUMQ-VBKFSLOCSA-N ChemAxon polar_surface_area 83.83 ChemAxon refractivity 132.23 ChemAxon polarizability 51.55 ChemAxon rotatable_bond_count 4 ChemAxon acceptor_count 5 ChemAxon donor_count 2 ChemAxon physiological_charge -1 ChemAxon formal_charge 0 ChemAxon Specdb::CMs 25795 Specdb::CMs 41798 Specdb::CMs 131560 Specdb::CMs 139294 Specdb::MsMs 78690 Specdb::MsMs 78691 Specdb::MsMs 78692 Specdb::MsMs 139110 Specdb::MsMs 139111 Specdb::MsMs 139112 Specdb::MsMs 2429980 Specdb::MsMs 2429981 Specdb::MsMs 2429982 Specdb::MsMs 2508388 Specdb::MsMs 2508389 Specdb::MsMs 2508390 HMDB30166 #<Reference:0x000055ce307673f8>