1.0 2010-04-08 22:11:35 UTC 2019-11-26 03:11:05 UTC FDB015004 Shyobunyl acetate Constituent of Galbanum absolute. Shyobunyl acetate is found in herbs and spices. 6beta-1,3-Elemadien-6-ol acetate Shyobunyl acetate C17H28O2 264.403 264.20893014 3-ethenyl-3-methyl-2-(prop-1-en-2-yl)-6-(propan-2-yl)cyclohexyl acetate 3-ethenyl-6-isopropyl-3-methyl-2-(prop-1-en-2-yl)cyclohexyl acetate 475207-59-1 CC(C)C1CCC(C)(C=C)C(C1OC(C)=O)C(C)=C InChI=1S/C17H28O2/c1-8-17(7)10-9-14(11(2)3)16(19-13(6)18)15(17)12(4)5/h8,11,14-16H,1,4,9-10H2,2-3,5-7H3 YDQZSIGUGOIRSL-UHFFFAOYSA-N belongs to the class of organic compounds known as elemane sesquiterpenoids. These are sesquiterpenoids with a structure based on the elemane skeleton. Elemane is a monocyclic compound consisting of a cyclohexane ring substituted with a methyl group, an ethyl group, and two 1-methylethyl groups at the 1-, 1-, 2-, and 4-position, respectively. Elemane sesquiterpenoids Organic compounds Lipids and lipid-like molecules Prenol lipids Sesquiterpenoids Aliphatic homomonocyclic compounds Carbonyl compounds Carboxylic acid esters Hydrocarbon derivatives Monocarboxylic acids and derivatives Organic oxides Aliphatic homomonocyclic compound Carbonyl group Carboxylic acid derivative Carboxylic acid ester Elemane sesquiterpenoid Hydrocarbon derivative Monocarboxylic acid or derivatives Organic oxide Organic oxygen compound Organooxygen compound logp 4.54 ALOGPS logs -5.18 ALOGPS solubility 1.74e-03 g/l ALOGPS logp 4.29 ChemAxon pka_strongest_basic -7 ChemAxon iupac 3-ethenyl-3-methyl-2-(prop-1-en-2-yl)-6-(propan-2-yl)cyclohexyl acetate ChemAxon average_mass 264.403 ChemAxon mono_mass 264.20893014 ChemAxon smiles CC(C)C1CCC(C)(C=C)C(C1OC(C)=O)C(C)=C ChemAxon formula C17H28O2 ChemAxon inchi InChI=1S/C17H28O2/c1-8-17(7)10-9-14(11(2)3)16(19-13(6)18)15(17)12(4)5/h8,11,14-16H,1,4,9-10H2,2-3,5-7H3 ChemAxon inchikey YDQZSIGUGOIRSL-UHFFFAOYSA-N ChemAxon polar_surface_area 26.3 ChemAxon refractivity 79.12 ChemAxon polarizability 31.27 ChemAxon rotatable_bond_count 5 ChemAxon acceptor_count 1 ChemAxon donor_count 0 ChemAxon physiological_charge 0 ChemAxon formal_charge 0 ChemAxon Specdb::CMs 25771 Specdb::CMs 134354 Specdb::CMs 142088 Specdb::MsMs 105996 Specdb::MsMs 105997 Specdb::MsMs 105998 Specdb::MsMs 172629 Specdb::MsMs 172630 Specdb::MsMs 172631 Specdb::MsMs 2780479 Specdb::MsMs 2780480 Specdb::MsMs 2780481 Specdb::MsMs 2925757 Specdb::MsMs 2925758 Specdb::MsMs 2925759 HMDB36153 #<Reference:0x000055ce331e9a90> Herbs and Spices Unknown generic