1.0 2010-04-08 22:11:21 UTC 2019-11-26 03:10:21 UTC FDB014569 Shyobunol Constituent of a Galbanum absolute. Shyobunol is found in herbs and spices. [1R-(1alpha,2alpha,3beta,6alpha)]-3-Mthenyl-3-methyl-2-(1-methylethenyl)-6-(1-methylethyl)-cyclohexanol 6-epi-shyobunol Shyobunol C15H26O 222.3663 222.198365454 3-ethenyl-3-methyl-2-(prop-1-en-2-yl)-6-(propan-2-yl)cyclohexan-1-ol 3-ethenyl-6-isopropyl-3-methyl-2-(prop-1-en-2-yl)cyclohexan-1-ol 35727-45-8 CC(C)C1CCC(C)(C=C)C(C1O)C(C)=C InChI=1S/C15H26O/c1-7-15(6)9-8-12(10(2)3)14(16)13(15)11(4)5/h7,10,12-14,16H,1,4,8-9H2,2-3,5-6H3 WOULTTPZJDSDEI-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 Cyclic alcohols and derivatives Cyclohexanols Hydrocarbon derivatives Alcohol Aliphatic homomonocyclic compound Cyclic alcohol Cyclohexanol Elemane sesquiterpenoid Hydrocarbon derivative Organic oxygen compound Organooxygen compound Secondary alcohol logp 3.87 ALOGPS logs -4.47 ALOGPS solubility 7.52e-03 g/l ALOGPS logp 3.85 ChemAxon pka_strongest_basic -0.13 ChemAxon iupac 3-ethenyl-3-methyl-2-(prop-1-en-2-yl)-6-(propan-2-yl)cyclohexan-1-ol ChemAxon average_mass 222.3663 ChemAxon mono_mass 222.198365454 ChemAxon smiles CC(C)C1CCC(C)(C=C)C(C1O)C(C)=C ChemAxon formula C15H26O ChemAxon inchi InChI=1S/C15H26O/c1-7-15(6)9-8-12(10(2)3)14(16)13(15)11(4)5/h7,10,12-14,16H,1,4,8-9H2,2-3,5-6H3 ChemAxon inchikey WOULTTPZJDSDEI-UHFFFAOYSA-N ChemAxon polar_surface_area 20.23 ChemAxon refractivity 69.96 ChemAxon polarizability 27.45 ChemAxon rotatable_bond_count 3 ChemAxon acceptor_count 1 ChemAxon donor_count 1 ChemAxon physiological_charge 0 ChemAxon formal_charge 0 ChemAxon Specdb::CMs 20510 Specdb::CMs 44574 Specdb::CMs 164158 Specdb::MsMs 10460 Specdb::MsMs 10461 Specdb::MsMs 10462 Specdb::MsMs 17132 Specdb::MsMs 17133 Specdb::MsMs 17134 Specdb::MsMs 2710823 Specdb::MsMs 2710824 Specdb::MsMs 2710825 Specdb::MsMs 2995355 Specdb::MsMs 2995356 Specdb::MsMs 2995357 HMDB35811 #<Reference:0x000055ce320fb7b0> Herbs and Spices Unknown generic