1.0 2010-04-08 22:13:45 UTC 2019-11-26 03:16:15 UTC FDB018516 5,6-Epoxy-5,6-dihydro-10'-apo-b,y-carotene-3,10'-diol Isolated from the peel of the ripe Golden Delicious apple. Prob. a metabolite of <ht>JVG-51D</ht> in the mature fruit. 5,6-Epoxy-5,6-dihydro-10'-apo-b,y-carotene-3,10'-diol is found in pomes. C27H38O3 410.5888 410.282095082 6-[(1E,3Z,5E,7E,9E,11Z,13Z)-15-hydroxy-3,7,12-trimethylpentadeca-1,3,5,7,9,11,13-heptaen-1-yl]-1,5,5-trimethyl-7-oxabicyclo[4.1.0]heptan-3-ol 6-[(1E,3Z,5E,7E,9E,11Z,13Z)-15-hydroxy-3,7,12-trimethylpentadeca-1,3,5,7,9,11,13-heptaen-1-yl]-1,5,5-trimethyl-7-oxabicyclo[4.1.0]heptan-3-ol 68378-37-0 C\C(\C=C/CO)=C\C=C\C=C(/C)\C=C\C=C(\C)/C=C/C12OC1(C)CC(O)CC2(C)C InChI=1S/C27H38O3/c1-21(11-7-8-12-22(2)15-10-18-28)13-9-14-23(3)16-17-27-25(4,5)19-24(29)20-26(27,6)30-27/h7-17,24,28-29H,18-20H2,1-6H3/b8-7+,13-9+,15-10-,17-16+,21-11+,22-12-,23-14- GMQZSQMIENYQEB-AFMCRXATSA-N belongs to the class of organic compounds known as sesterterpenoids. These are terpenes composed of five consecutive isoprene units. Sesterterpenoids Organic compounds Lipids and lipid-like molecules Prenol lipids Sesterterpenoids Aliphatic heteropolycyclic compounds Cyclic alcohols and derivatives Dialkyl ethers Epoxides Hydrocarbon derivatives Long-chain fatty alcohols Oxacyclic compounds Oxepanes Primary alcohols Secondary alcohols Alcohol Aliphatic heteropolycyclic compound Cyclic alcohol Dialkyl ether Ether Fatty acyl Fatty alcohol Hydrocarbon derivative Long chain fatty alcohol Organic oxygen compound Organoheterocyclic compound Organooxygen compound Oxacycle Oxepane Oxirane Primary alcohol Secondary alcohol Sesterterpenoid logp 6.29 ALOGPS logs -5.02 ALOGPS solubility 3.93e-03 g/l ALOGPS logp 4.59 ChemAxon pka_strongest_acidic 15.1 ChemAxon pka_strongest_basic -2.3 ChemAxon iupac 6-[(1E,3Z,5E,7E,9E,11Z,13Z)-15-hydroxy-3,7,12-trimethylpentadeca-1,3,5,7,9,11,13-heptaen-1-yl]-1,5,5-trimethyl-7-oxabicyclo[4.1.0]heptan-3-ol ChemAxon average_mass 410.5888 ChemAxon mono_mass 410.282095082 ChemAxon smiles C\C(\C=C/CO)=C\C=C\C=C(/C)\C=C\C=C(\C)/C=C/C12OC1(C)CC(O)CC2(C)C ChemAxon formula C27H38O3 ChemAxon inchi InChI=1S/C27H38O3/c1-21(11-7-8-12-22(2)15-10-18-28)13-9-14-23(3)16-17-27-25(4,5)19-24(29)20-26(27,6)30-27/h7-17,24,28-29H,18-20H2,1-6H3/b8-7+,13-9+,15-10-,17-16+,21-11+,22-12-,23-14- ChemAxon inchikey GMQZSQMIENYQEB-AFMCRXATSA-N ChemAxon polar_surface_area 52.99 ChemAxon refractivity 133.52 ChemAxon polarizability 49.63 ChemAxon rotatable_bond_count 8 ChemAxon acceptor_count 3 ChemAxon donor_count 2 ChemAxon physiological_charge 0 ChemAxon formal_charge 0 ChemAxon Specdb::CMs 14368 Specdb::CMs 46209 Specdb::CMs 134104 Specdb::CMs 141838 Specdb::MsMs 98133 Specdb::MsMs 98134 Specdb::MsMs 98135 Specdb::MsMs 162984 Specdb::MsMs 162985 Specdb::MsMs 162986 Specdb::MsMs 2740123 Specdb::MsMs 2740124 Specdb::MsMs 2740125 Specdb::MsMs 2939303 Specdb::MsMs 2939304 Specdb::MsMs 2939305 HMDB39021 #<Reference:0x000055ce304d8da8> Pomes Unknown generic