1.0 2010-04-08 22:04:47 UTC 2025-11-18 22:26:57 UTC FDB000979 6e,9e-Dihydroxy-4,7E-megastigmadien-3-one 9-glucoside Constituent of Vitis vinifera cv. Gewürztraminer. 6e,9e-Dihydroxy-4,7E-megastigmadien-3-one 9-glucoside is found in alcoholic beverages and fruits. 6e,9e-Dihydroxy-4,7E-megastigmadien-3-one 9-glucoside 6e,9e-Dihydroxy-4,7E-megastigmadien-3-one 9-O-b-D-glucopyranoside 6e,9e-Dihydroxy-4,7E-megastigmadien-3-one 9-O-b-D-glucoside C19H30O8 386.4367 386.194067936 4-hydroxy-3,5,5-trimethyl-4-[(1E)-3-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}but-1-en-1-yl]cyclohex-2-en-1-one 4-hydroxy-3,5,5-trimethyl-4-[(1E)-3-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}but-1-en-1-yl]cyclohex-2-en-1-one 109-04-6 CC(OC1OC(CO)C(O)C(O)C1O)\C=C\C1(O)C(C)=CC(=O)CC1(C)C InChI=1S/C19H30O8/c1-10-7-12(21)8-18(3,4)19(10,25)6-5-11(2)26-17-16(24)15(23)14(22)13(9-20)27-17/h5-7,11,13-17,20,22-25H,8-9H2,1-4H3/b6-5+ SWYRVCGNMNAFEK-AATRIKPKSA-N belongs to the class of organic compounds known as fatty acyl glycosides of mono- and disaccharides. Fatty acyl glycosides of mono- and disaccharides are compounds composed of a mono- or disaccharide moiety linked to one hydroxyl group of a fatty alcohol or of a phosphorylated alcohol (phosphoprenols), a hydroxy fatty acid or to one carboxyl group of a fatty acid (ester linkage) or to an amino alcohol. Fatty acyl glycosides of mono- and disaccharides Organic compounds Lipids and lipid-like molecules Fatty Acyls Fatty acyl glycosides Aliphatic heteromonocyclic compounds Acetals Alkyl glycosides Cyclohexenones Hexoses Hydrocarbon derivatives O-glycosyl compounds Organic oxides Oxacyclic compounds Oxanes Polyols Primary alcohols Secondary alcohols Sesquiterpenoids Tertiary alcohols Acetal Alcohol Aliphatic heteromonocyclic compound Alkyl glycoside Carbonyl group Cyclic ketone Cyclofarsesane sesquiterpenoid Cyclohexenone Fatty acyl glycoside of mono- or disaccharide Glycosyl compound Hexose monosaccharide Hydrocarbon derivative Ionone derivative Ketone Megastigmane sesquiterpenoid Monosaccharide O-glycosyl compound Organic oxide Organic oxygen compound Organoheterocyclic compound Organooxygen compound Oxacycle Oxane Polyol Primary alcohol Secondary alcohol Sesquiterpenoid Tertiary alcohol logp -0.30 ALOGPS logs -2.11 ALOGPS solubility 2.97e+00 g/l ALOGPS logp -0.35 ChemAxon pka_strongest_acidic 12.18 ChemAxon pka_strongest_basic -3 ChemAxon iupac 4-hydroxy-3,5,5-trimethyl-4-[(1E)-3-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}but-1-en-1-yl]cyclohex-2-en-1-one ChemAxon average_mass 386.4367 ChemAxon mono_mass 386.194067936 ChemAxon smiles CC(OC1OC(CO)C(O)C(O)C1O)\C=C\C1(O)C(C)=CC(=O)CC1(C)C ChemAxon formula C19H30O8 ChemAxon inchi InChI=1S/C19H30O8/c1-10-7-12(21)8-18(3,4)19(10,25)6-5-11(2)26-17-16(24)15(23)14(22)13(9-20)27-17/h5-7,11,13-17,20,22-25H,8-9H2,1-4H3/b6-5+ ChemAxon inchikey SWYRVCGNMNAFEK-AATRIKPKSA-N ChemAxon polar_surface_area 136.68 ChemAxon refractivity 97.34 ChemAxon polarizability 40.53 ChemAxon rotatable_bond_count 5 ChemAxon acceptor_count 8 ChemAxon donor_count 5 ChemAxon physiological_charge 0 ChemAxon formal_charge 0 ChemAxon Specdb::NmrOneD 159430 Specdb::NmrOneD 159431 Specdb::NmrOneD 159432 Specdb::NmrOneD 159433 Specdb::NmrOneD 159434 Specdb::NmrOneD 159435 Specdb::NmrOneD 159436 Specdb::NmrOneD 159437 Specdb::NmrOneD 159438 Specdb::NmrOneD 159439 Specdb::NmrOneD 159440 Specdb::NmrOneD 159441 Specdb::NmrOneD 159442 Specdb::NmrOneD 159443 Specdb::NmrOneD 159444 Specdb::NmrOneD 159445 Specdb::NmrOneD 159446 Specdb::NmrOneD 159447 Specdb::NmrOneD 159448 Specdb::NmrOneD 159449 Specdb::CMs 15414 Specdb::CMs 41537 Specdb::CMs 132765 Specdb::CMs 140499 Specdb::MsMs 55200 Specdb::MsMs 55201 Specdb::MsMs 55202 Specdb::MsMs 167889 Specdb::MsMs 167890 Specdb::MsMs 167891 Specdb::MsMs 2452918 Specdb::MsMs 2452919 Specdb::MsMs 2452920 Specdb::MsMs 2482423 Specdb::MsMs 2482424 Specdb::MsMs 2482425 HMDB0029772 Alcoholic beverages Unknown generic Fruits Unknown generic