1.0 2010-04-08 22:10:56 UTC 2019-11-26 03:09:08 UTC FDB013830 3,4-Didehydroretinol Constituent of fresh-water fish oils. 3,4-Didehydroretinol is found in fats and oils and fishes. 3-Dehydoretinol 3-Dehydroretinol 3,4-Didehydro-all-trans-retinol 3,4-Didehydroretinol all-trans-3-Dehydroretinol all-trans-3,4-Didehydroretinol Dehydroretinol VA2 Vitamin A2 C20H28O 284.4357 284.214015518 (2E,4E,6Z,8E)-3,7-dimethyl-9-(2,6,6-trimethylcyclohexa-1,3-dien-1-yl)nona-2,4,6,8-tetraen-1-ol (2E,4E,6Z,8E)-3,7-dimethyl-9-(2,6,6-trimethylcyclohexa-1,3-dien-1-yl)nona-2,4,6,8-tetraen-1-ol 79-80-1 C\C(=C/CO)\C=C\C=C(\C)/C=C/C1=C(C)C=CCC1(C)C InChI=1S/C20H28O/c1-16(8-6-9-17(2)13-15-21)11-12-19-18(3)10-7-14-20(19,4)5/h6-13,21H,14-15H2,1-5H3/b9-6+,12-11+,16-8-,17-13+ XWCYDHJOKKGVHC-MKOSUFFBSA-N belongs to the class of organic compounds known as retinoids. These are oxygenated derivatives of 3,7-dimethyl-1-(2,6,6-trimethylcyclohex-1-enyl)nona-1,3,5,7-tetraene and derivatives thereof. Retinoids Organic compounds Lipids and lipid-like molecules Prenol lipids Retinoids Aliphatic homomonocyclic compounds Diterpenoids Fatty alcohols Hydrocarbon derivatives Primary alcohols Alcohol Aliphatic homomonocyclic compound Diterpenoid Fatty acyl Fatty alcohol Hydrocarbon derivative Organic oxygen compound Organooxygen compound Primary alcohol Retinoid skeleton Solid logp 5.66 ALOGPS logs -4.30 ALOGPS solubility 1.42e-02 g/l ALOGPS melting_point < 25 oC logp 4.33 ChemAxon pka_strongest_acidic 16.44 ChemAxon pka_strongest_basic -2.2 ChemAxon iupac (2E,4E,6Z,8E)-3,7-dimethyl-9-(2,6,6-trimethylcyclohexa-1,3-dien-1-yl)nona-2,4,6,8-tetraen-1-ol ChemAxon average_mass 284.4357 ChemAxon mono_mass 284.214015518 ChemAxon smiles C\C(=C/CO)\C=C\C=C(\C)/C=C/C1=C(C)C=CCC1(C)C ChemAxon formula C20H28O ChemAxon inchi InChI=1S/C20H28O/c1-16(8-6-9-17(2)13-15-21)11-12-19-18(3)10-7-14-20(19,4)5/h6-13,21H,14-15H2,1-5H3/b9-6+,12-11+,16-8-,17-13+ ChemAxon inchikey XWCYDHJOKKGVHC-MKOSUFFBSA-N ChemAxon polar_surface_area 20.23 ChemAxon refractivity 99.04 ChemAxon polarizability 35.41 ChemAxon rotatable_bond_count 5 ChemAxon acceptor_count 1 ChemAxon donor_count 1 ChemAxon physiological_charge 0 ChemAxon formal_charge 0 ChemAxon Specdb::MsMs 90144 Specdb::MsMs 90145 Specdb::MsMs 90146 Specdb::MsMs 153234 Specdb::MsMs 153235 Specdb::MsMs 153236 HMDB13117 Fats and oils Unknown generic Fishes Unknown generic