1.0 2010-04-08 22:13:24 UTC 2025-11-19 02:06:44 UTC FDB017931 (1beta,4alpha,5alpha,6beta,8alpha,10b)-1,10:4,5-Diepoxy-6-hydroxy-7(11)-germacren-12,8-olide Constituent of Smyrnium olusatrum (alexanders). (1beta,4alpha,5alpha,6beta,8alpha,10b)-1,10:4,5-Diepoxy-6-hydroxy-7(11)-germacren-12,8-olide is found in green vegetables. C15H20O5 280.3163 280.13107375 2-hydroxy-5,10,15-trimethyl-4,9,13-trioxatetracyclo[10.3.0.0³,⁵.0⁸,¹⁰]pentadec-1(15)-en-14-one 2-hydroxy-5,10,15-trimethyl-4,9,13-trioxatetracyclo[10.3.0.0³,⁵.0⁸,¹⁰]pentadec-1(15)-en-14-one 366494-94-2 CC1=C2C(CC3(C)OC3CCC3(C)OC3C2O)OC1=O InChI=1S/C15H20O5/c1-7-10-8(18-13(7)17)6-15(3)9(19-15)4-5-14(2)12(20-14)11(10)16/h8-9,11-12,16H,4-6H2,1-3H3 BWSYOMVQMMVGIN-UHFFFAOYSA-N belongs to the class of organic compounds known as terpene lactones. These are prenol lipids containing a lactone ring. Terpene lactones Organic compounds Lipids and lipid-like molecules Prenol lipids Terpene lactones Aliphatic heteropolycyclic compounds Butenolides Carbonyl compounds Dialkyl ethers Enoate esters Epoxides Germacrane sesquiterpenoids Hydrocarbon derivatives Lactones Monocarboxylic acids and derivatives Organic oxides Oxacyclic compounds Secondary alcohols 2-furanone Alcohol Aliphatic heteropolycyclic compound Alpha,beta-unsaturated carboxylic ester Carbonyl group Carboxylic acid derivative Carboxylic acid ester Dialkyl ether Dihydrofuran Enoate ester Ether Germacrane sesquiterpenoid Hydrocarbon derivative Lactone Monocarboxylic acid or derivatives Organic oxide Organic oxygen compound Organoheterocyclic compound Organooxygen compound Oxacycle Oxirane Secondary alcohol Sesquiterpenoid Terpene lactone logp 0.70 ALOGPS logs -1.83 ALOGPS solubility 4.12e+00 g/l ALOGPS melting_point Mp 165-168° logp 0.84 ChemAxon pka_strongest_acidic 12.97 ChemAxon pka_strongest_basic -3.5 ChemAxon iupac 2-hydroxy-5,10,15-trimethyl-4,9,13-trioxatetracyclo[10.3.0.0³,⁵.0⁸,¹⁰]pentadec-1(15)-en-14-one ChemAxon average_mass 280.3163 ChemAxon mono_mass 280.13107375 ChemAxon smiles CC1=C2C(CC3(C)OC3CCC3(C)OC3C2O)OC1=O ChemAxon formula C15H20O5 ChemAxon inchi InChI=1S/C15H20O5/c1-7-10-8(18-13(7)17)6-15(3)9(19-15)4-5-14(2)12(20-14)11(10)16/h8-9,11-12,16H,4-6H2,1-3H3 ChemAxon inchikey BWSYOMVQMMVGIN-UHFFFAOYSA-N ChemAxon polar_surface_area 71.59 ChemAxon refractivity 69.51 ChemAxon polarizability 28.79 ChemAxon rotatable_bond_count 0 ChemAxon acceptor_count 4 ChemAxon donor_count 1 ChemAxon physiological_charge 0 ChemAxon formal_charge 0 ChemAxon Specdb::CMs 14168 Specdb::CMs 45902 Specdb::CMs 133823 Specdb::CMs 141557 Specdb::NmrOneD 27202 Specdb::NmrOneD 27203 Specdb::NmrOneD 27204 Specdb::NmrOneD 27205 Specdb::NmrOneD 27206 Specdb::NmrOneD 27207 Specdb::NmrOneD 27208 Specdb::NmrOneD 27209 Specdb::NmrOneD 27210 Specdb::NmrOneD 27211 Specdb::NmrOneD 27212 Specdb::NmrOneD 27213 Specdb::NmrOneD 27214 Specdb::NmrOneD 27215 Specdb::NmrOneD 27216 Specdb::NmrOneD 27217 Specdb::NmrOneD 27218 Specdb::NmrOneD 27219 Specdb::NmrOneD 27220 Specdb::NmrOneD 27221 Specdb::MsMs 12335 Specdb::MsMs 12336 Specdb::MsMs 12337 Specdb::MsMs 19007 Specdb::MsMs 19008 Specdb::MsMs 19009 Specdb::MsMs 2299119 Specdb::MsMs 2299120 Specdb::MsMs 2299121 Specdb::MsMs 2639731 Specdb::MsMs 2639732 Specdb::MsMs 2639733 HMDB38545 #<Reference:0x000055ce31e57d60> Green vegetables Unknown generic