1.0 2010-04-08 22:04:55 UTC 2025-11-18 22:30:20 UTC FDB001336 Euglobal IVa Constituent of Eucalyptus globulus (Tasmanian blue gum). Euglobal IVa C28H38O5 454.5983 454.271924326 (7Z)-15,17-dihydroxy-3,3,7,11-tetramethyl-19-(2-methylpropyl)-12-oxatetracyclo[9.8.0.0²,⁴.0¹³,¹⁸]nonadeca-7,13(18),14,16-tetraene-14,16-dicarbaldehyde (7Z)-15,17-dihydroxy-3,3,7,11-tetramethyl-19-(2-methylpropyl)-12-oxatetracyclo[9.8.0.0²,⁴.0¹³,¹⁸]nonadeca-7,13(18),14,16-tetraene-14,16-dicarbaldehyde 77794-65-1 CC(C)CC1C2C3C(CC\C(C)=C/CCC2(C)OC2=C1C(O)=C(C=O)C(O)=C2C=O)C3(C)C InChI=1S/C28H38O5/c1-15(2)12-17-21-25(32)18(13-29)24(31)19(14-30)26(21)33-28(6)11-7-8-16(3)9-10-20-23(22(17)28)27(20,4)5/h8,13-15,17,20,22-23,31-32H,7,9-12H2,1-6H3/b16-8- XJFLMCYKZVYATJ-PXNMLYILSA-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 5.60 ALOGPS logs -5.00 ALOGPS solubility 4.55e-03 g/l ALOGPS logp 8.01 ChemAxon pka_strongest_acidic 6.88 ChemAxon pka_strongest_basic -4.9 ChemAxon iupac (7Z)-15,17-dihydroxy-3,3,7,11-tetramethyl-19-(2-methylpropyl)-12-oxatetracyclo[9.8.0.0²,⁴.0¹³,¹⁸]nonadeca-7,13(18),14,16-tetraene-14,16-dicarbaldehyde ChemAxon average_mass 454.5983 ChemAxon mono_mass 454.271924326 ChemAxon smiles CC(C)CC1C2C3C(CC\C(C)=C/CCC2(C)OC2=C1C(O)=C(C=O)C(O)=C2C=O)C3(C)C ChemAxon formula C28H38O5 ChemAxon inchi InChI=1S/C28H38O5/c1-15(2)12-17-21-25(32)18(13-29)24(31)19(14-30)26(21)33-28(6)11-7-8-16(3)9-10-20-23(22(17)28)27(20,4)5/h8,13-15,17,20,22-23,31-32H,7,9-12H2,1-6H3/b16-8- ChemAxon inchikey XJFLMCYKZVYATJ-PXNMLYILSA-N ChemAxon polar_surface_area 83.83 ChemAxon refractivity 132.23 ChemAxon polarizability 50.8 ChemAxon rotatable_bond_count 4 ChemAxon acceptor_count 5 ChemAxon donor_count 2 ChemAxon physiological_charge -1 ChemAxon formal_charge 0 ChemAxon Specdb::CMs 9822 Specdb::CMs 41707 Specdb::CMs 169108 Specdb::MsMs 49128 Specdb::MsMs 49129 Specdb::MsMs 49130 Specdb::MsMs 128109 Specdb::MsMs 128110 Specdb::MsMs 128111 Specdb::MsMs 2823713 Specdb::MsMs 2823714 Specdb::MsMs 2823715 Specdb::MsMs 2854588 Specdb::MsMs 2854589 Specdb::MsMs 2854590 HMDB0030035