1.0 2010-04-08 22:11:00 UTC 2019-11-26 03:09:22 UTC FDB013969 4alpha,5alpha-Epoxy-11-eudesmen-3a-ol Constituent of Cyperus rotundus (nutgrass). 4alpha,5alpha-Epoxy-11-eudesmen-3a-ol is found in root vegetables. [1aR-(1aalpha,2alpha,4aalpha,7alpha,8aS*)]-Octahydro-1a,4a-dimethyl-7-(1-methylethenyl)-3H-naphth[1,8a-b]oxiren-2-ol 4a,5a-Epoxy-11-eudesmen-3a-ol 4alpha,5alpha-Epoxy-11-eudesmen-3alpha-ol C15H24O2 236.3499 236.177630012 1b,5b-dimethyl-4-(prop-1-en-2-yl)-octahydro-H-naphtho[1,8a-b]oxiren--ol 1b,5b-dimethyl-4-(prop-1-en-2-yl)-hexahydro-H-naphtho[1,8a-b]oxiren--ol 61248-42-8 CC(=C)C1CCC2(C)CCC(O)C3(C)OC23C1 InChI=1S/C15H24O2/c1-10(2)11-5-7-13(3)8-6-12(16)14(4)15(13,9-11)17-14/h11-12,16H,1,5-9H2,2-4H3 AXKKANUAFIGTQI-UHFFFAOYSA-N belongs to the class of organic compounds known as sesquiterpenoids. These are terpenes with three consecutive isoprene units. Sesquiterpenoids Organic compounds Lipids and lipid-like molecules Prenol lipids Sesquiterpenoids Aliphatic heteropolycyclic compounds Cyclic alcohols and derivatives Dialkyl ethers Epoxides Hydrocarbon derivatives Oxacyclic compounds Oxepanes Secondary alcohols Alcohol Aliphatic heteropolycyclic compound Cyclic alcohol Dialkyl ether Ether Hydrocarbon derivative Organic oxygen compound Organoheterocyclic compound Organooxygen compound Oxacycle Oxepane Oxirane Secondary alcohol Sesquiterpenoid logp 3.14 ALOGPS logs -3.26 ALOGPS solubility 1.30e-01 g/l ALOGPS melting_point Mp 61.5° logp 2.77 ChemAxon pka_strongest_acidic 13.91 ChemAxon pka_strongest_basic -3.3 ChemAxon iupac 1b,5b-dimethyl-4-(prop-1-en-2-yl)-octahydro-H-naphtho[1,8a-b]oxiren--ol ChemAxon average_mass 236.3499 ChemAxon mono_mass 236.177630012 ChemAxon smiles CC(=C)C1CCC2(C)CCC(O)C3(C)OC23C1 ChemAxon formula C15H24O2 ChemAxon inchi InChI=1S/C15H24O2/c1-10(2)11-5-7-13(3)8-6-12(16)14(4)15(13,9-11)17-14/h11-12,16H,1,5-9H2,2-4H3 ChemAxon inchikey AXKKANUAFIGTQI-UHFFFAOYSA-N ChemAxon polar_surface_area 32.76 ChemAxon refractivity 67.43 ChemAxon polarizability 27.68 ChemAxon rotatable_bond_count 1 ChemAxon acceptor_count 2 ChemAxon donor_count 1 ChemAxon physiological_charge 0 ChemAxon formal_charge 0 ChemAxon Specdb::MsMs 60051 Specdb::MsMs 60052 Specdb::MsMs 60053 Specdb::MsMs 116307 Specdb::MsMs 116308 Specdb::MsMs 116309 Specdb::MsMs 2285323 Specdb::MsMs 2285324 Specdb::MsMs 2285325 Specdb::MsMs 3081027 Specdb::MsMs 3081028 Specdb::MsMs 3081029 Specdb::CMs 12118 Specdb::CMs 44313 Specdb::CMs 155757 HMDB35301 #<Reference:0x000055ce305cd8f8> Root vegetables Unknown generic