1.0 2010-04-08 22:09:19 UTC 2025-11-18 23:22:19 UTC FDB010819 5-Megastigmen-7-yne-3,9-diol 3-glucoside Constituent of Riesling wine. 5-Megastigmen-7-yne-3,9-diol 3-glucoside is found in alcoholic beverages. 5-Megastigmen-7-yne-3,9-diol 3-glucoside 5-Megastigmen-7-yne-3,9-diol 3-O-b-D-glucopyranoside N-Dodecyl-N-tetradecyl-beta-alanine N-Lauryl-N-myristyl-beta-alanine C19H30O7 370.4373 370.199153314 2-{[4-(3-hydroxybut-1-yn-1-yl)-3,5,5-trimethylcyclohex-3-en-1-yl]oxy}-6-(hydroxymethyl)oxane-3,4,5-triol 2-{[4-(3-hydroxybut-1-yn-1-yl)-3,5,5-trimethylcyclohex-3-en-1-yl]oxy}-6-(hydroxymethyl)oxane-3,4,5-triol 62512-27-0 CC(O)C#CC1=C(C)CC(CC1(C)C)OC1OC(CO)C(O)C(O)C1O InChI=1S/C19H30O7/c1-10-7-12(8-19(3,4)13(10)6-5-11(2)21)25-18-17(24)16(23)15(22)14(9-20)26-18/h11-12,14-18,20-24H,7-9H2,1-4H3 XIRQNNSWPUAAHR-UHFFFAOYSA-N belongs to the class of organic compounds known as o-glycosyl compounds. These are glycoside in which a sugar group is bonded through one carbon to another group via a O-glycosidic bond. O-glycosyl compounds Organic compounds Organic oxygen compounds Organooxygen compounds Carbohydrates and carbohydrate conjugates Aliphatic heteromonocyclic compounds Acetals Hexoses Hydrocarbon derivatives Oxacyclic compounds Oxanes Polyols Primary alcohols Secondary alcohols Acetal Alcohol Aliphatic heteromonocyclic compound Hexose monosaccharide Hydrocarbon derivative Monosaccharide O-glycosyl compound Organoheterocyclic compound Oxacycle Oxane Polyol Primary alcohol Secondary alcohol logp -0.38 ALOGPS logs -2.90 ALOGPS solubility 4.61e-01 g/l ALOGPS logp -0.17 ChemAxon pka_strongest_acidic 12.21 ChemAxon pka_strongest_basic -3 ChemAxon iupac 2-{[4-(3-hydroxybut-1-yn-1-yl)-3,5,5-trimethylcyclohex-3-en-1-yl]oxy}-6-(hydroxymethyl)oxane-3,4,5-triol ChemAxon average_mass 370.4373 ChemAxon mono_mass 370.199153314 ChemAxon smiles CC(O)C#CC1=C(C)CC(CC1(C)C)OC1OC(CO)C(O)C(O)C1O ChemAxon formula C19H30O7 ChemAxon inchi InChI=1S/C19H30O7/c1-10-7-12(8-19(3,4)13(10)6-5-11(2)21)25-18-17(24)16(23)15(22)14(9-20)26-18/h11-12,14-18,20-24H,7-9H2,1-4H3 ChemAxon inchikey XIRQNNSWPUAAHR-UHFFFAOYSA-N ChemAxon polar_surface_area 119.61 ChemAxon refractivity 95.15 ChemAxon polarizability 40.21 ChemAxon rotatable_bond_count 5 ChemAxon acceptor_count 7 ChemAxon donor_count 5 ChemAxon physiological_charge 0 ChemAxon formal_charge 0 ChemAxon Specdb::CMs 20460 Specdb::CMs 42988 Specdb::CMs 161293 Specdb::MsMs 103998 Specdb::MsMs 103999 Specdb::MsMs 104000 Specdb::MsMs 170175 Specdb::MsMs 170176 Specdb::MsMs 170177 Specdb::MsMs 2312831 Specdb::MsMs 2312832 Specdb::MsMs 2312833 Specdb::MsMs 2653235 Specdb::MsMs 2653236 Specdb::MsMs 2653237 Specdb::NmrOneD 115598 Specdb::NmrOneD 115599 Specdb::NmrOneD 115600 Specdb::NmrOneD 115601 Specdb::NmrOneD 115602 Specdb::NmrOneD 115603 Specdb::NmrOneD 115604 Specdb::NmrOneD 115605 Specdb::NmrOneD 115606 Specdb::NmrOneD 115607 Specdb::NmrOneD 115608 Specdb::NmrOneD 115609 Specdb::NmrOneD 115610 Specdb::NmrOneD 115611 Specdb::NmrOneD 115612 Specdb::NmrOneD 115613 Specdb::NmrOneD 115614 Specdb::NmrOneD 115615 Specdb::NmrOneD 115616 Specdb::NmrOneD 115617 HMDB32842 #<Reference:0x000055ce30f32358> Alcoholic beverages Unknown generic