1.0 2010-04-08 22:13:43 UTC 2025-11-19 02:11:33 UTC FDB018452 (9Z,11S,16S)-1-Acetoxy-9,17-octadecadiene-12,14-diyne-11,16-diol Constituent of Smyrnium olusatrum (alexanders). (9Z,11S,16S)-1-Acetoxy-9,17-octadecadiene-12,14-diyne-11,16-diol is found in green vegetables. (9Z,11S,16S)-1-Acetoxy-9,17-octadecadiene-12,14-diyne-11,16-diol C20H28O4 332.4339 332.198759384 (9E)-11,16-dihydroxyoctadeca-9,17-dien-12,14-diyn-1-yl acetate (9E)-11,16-dihydroxyoctadeca-9,17-dien-12,14-diyn-1-yl acetate 52691-49-3 CC(=O)OCCCCCCCC\C=C\C(O)C#CC#CC(O)C=C InChI=1S/C20H28O4/c1-3-19(22)14-11-12-16-20(23)15-10-8-6-4-5-7-9-13-17-24-18(2)21/h3,10,15,19-20,22-23H,1,4-9,13,17H2,2H3/b15-10+ VVURZXYIXNNJCG-XNTDXEJSSA-N belongs to the class of organic compounds known as long-chain fatty alcohols. These are fatty alcohols that have an aliphatic tail of 13 to 21 carbon atoms. Long-chain fatty alcohols Organic compounds Lipids and lipid-like molecules Fatty Acyls Fatty alcohols Aliphatic acyclic compounds Carbonyl compounds Carboxylic acid esters Fatty alcohol esters Hydrocarbon derivatives Monocarboxylic acids and derivatives Organic oxides Secondary alcohols Alcohol Aliphatic acyclic compound Carbonyl group Carboxylic acid derivative Carboxylic acid ester Fatty alcohol ester Hydrocarbon derivative Long chain fatty alcohol Monocarboxylic acid or derivatives Organic oxide Organic oxygen compound Organooxygen compound Secondary alcohol logp 4.27 ALOGPS logs -4.64 ALOGPS solubility 7.58e-03 g/l ALOGPS logp 3.82 ChemAxon pka_strongest_acidic 13.03 ChemAxon pka_strongest_basic -3.5 ChemAxon iupac (9E)-11,16-dihydroxyoctadeca-9,17-dien-12,14-diyn-1-yl acetate ChemAxon average_mass 332.4339 ChemAxon mono_mass 332.198759384 ChemAxon smiles CC(=O)OCCCCCCCC\C=C\C(O)C#CC#CC(O)C=C ChemAxon formula C20H28O4 ChemAxon inchi InChI=1S/C20H28O4/c1-3-19(22)14-11-12-16-20(23)15-10-8-6-4-5-7-9-13-17-24-18(2)21/h3,10,15,19-20,22-23H,1,4-9,13,17H2,2H3/b15-10+ ChemAxon inchikey VVURZXYIXNNJCG-XNTDXEJSSA-N ChemAxon polar_surface_area 66.76 ChemAxon refractivity 98.31 ChemAxon polarizability 40.13 ChemAxon rotatable_bond_count 15 ChemAxon acceptor_count 3 ChemAxon donor_count 2 ChemAxon physiological_charge 0 ChemAxon formal_charge 0 ChemAxon Specdb::CMs 13382 Specdb::CMs 46177 Specdb::CMs 153981 Specdb::MsMs 56565 Specdb::MsMs 56566 Specdb::MsMs 56567 Specdb::MsMs 112011 Specdb::MsMs 112012 Specdb::MsMs 112013 Specdb::MsMs 2289381 Specdb::MsMs 2289382 Specdb::MsMs 2289383 Specdb::MsMs 2650160 Specdb::MsMs 2650161 Specdb::MsMs 2650162 HMDB38966 #<Reference:0x000055ce2ea73148> Green vegetables Unknown generic