1.0 2010-04-08 22:04:47 UTC 2025-11-18 22:26:57 UTC FDB000980 6e,9e-Dihydroxy-4,7E-megastigmadien-3-one 9-[apiosyl-(1->6)-glucoside] Constituent of Vitis vinifera cv. Gewürztraminer. 6e,9e-Dihydroxy-4,7E-megastigmadien-3-one 9-[apiosyl-(1->6)-glucoside] is found in alcoholic beverages and fruits. 6e,9e-Dihydroxy-4,7E-megastigmadien-3-one 9-[apiosyl-(1->6)-glucoside] 6e,9e-Dihydroxy-4,7E-megastigmadien-3-one 9-O-[b-D-apiofuranosyl-(1->6)-b-D-glucopyranoside] 6e,9e-Dihydroxy-4,7E-megastigmadien-3-one 9-O-[b-D-apiosyl-(1->6)-b-D-glucoside] C24H38O12 518.5513 518.23632668 4-[(1E)-3-{[6-({[3,4-dihydroxy-4-(hydroxymethyl)oxolan-2-yl]oxy}methyl)-3,4,5-trihydroxyoxan-2-yl]oxy}but-1-en-1-yl]-4-hydroxy-3,5,5-trimethylcyclohex-2-en-1-one 4-[(1E)-3-{[6-({[3,4-dihydroxy-4-(hydroxymethyl)oxolan-2-yl]oxy}methyl)-3,4,5-trihydroxyoxan-2-yl]oxy}but-1-en-1-yl]-4-hydroxy-3,5,5-trimethylcyclohex-2-en-1-one 109-04-6 CC(OC1OC(COC2OCC(O)(CO)C2O)C(O)C(O)C1O)\C=C\C1(O)C(C)=CC(=O)CC1(C)C InChI=1S/C24H38O12/c1-12-7-14(26)8-22(3,4)24(12,32)6-5-13(2)35-20-18(29)17(28)16(27)15(36-20)9-33-21-19(30)23(31,10-25)11-34-21/h5-7,13,15-21,25,27-32H,8-11H2,1-4H3/b6-5+ WGPMCTNBJPAHNW-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 Disaccharides Hydrocarbon derivatives O-glycosyl compounds Organic oxides Oxacyclic compounds Oxanes Polyols Primary alcohols Secondary alcohols Sesquiterpenoids Tertiary alcohols Tetrahydrofurans Acetal Alcohol Aliphatic heteromonocyclic compound Alkyl glycoside Carbonyl group Cyclic ketone Cyclofarsesane sesquiterpenoid Cyclohexenone Disaccharide Fatty acyl glycoside of mono- or disaccharide Glycosyl compound Hydrocarbon derivative Ionone derivative Ketone Megastigmane sesquiterpenoid O-glycosyl compound Organic oxide Organic oxygen compound Organoheterocyclic compound Organooxygen compound Oxacycle Oxane Polyol Primary alcohol Secondary alcohol Sesquiterpenoid Tertiary alcohol Tetrahydrofuran logp -0.90 ALOGPS logs -2.39 ALOGPS solubility 2.10e+00 g/l ALOGPS logp -1.6 ChemAxon pka_strongest_acidic 11.7 ChemAxon pka_strongest_basic -3.1 ChemAxon iupac 4-[(1E)-3-{[6-({[3,4-dihydroxy-4-(hydroxymethyl)oxolan-2-yl]oxy}methyl)-3,4,5-trihydroxyoxan-2-yl]oxy}but-1-en-1-yl]-4-hydroxy-3,5,5-trimethylcyclohex-2-en-1-one ChemAxon average_mass 518.5513 ChemAxon mono_mass 518.23632668 ChemAxon smiles CC(OC1OC(COC2OCC(O)(CO)C2O)C(O)C(O)C1O)\C=C\C1(O)C(C)=CC(=O)CC1(C)C ChemAxon formula C24H38O12 ChemAxon inchi InChI=1S/C24H38O12/c1-12-7-14(26)8-22(3,4)24(12,32)6-5-13(2)35-20-18(29)17(28)16(27)15(36-20)9-33-21-19(30)23(31,10-25)11-34-21/h5-7,13,15-21,25,27-32H,8-11H2,1-4H3/b6-5+ ChemAxon inchikey WGPMCTNBJPAHNW-AATRIKPKSA-N ChemAxon polar_surface_area 195.6 ChemAxon refractivity 124.01 ChemAxon polarizability 53.38 ChemAxon rotatable_bond_count 8 ChemAxon acceptor_count 12 ChemAxon donor_count 7 ChemAxon physiological_charge 0 ChemAxon formal_charge 0 ChemAxon Specdb::CMs 23295 Specdb::CMs 41538 Specdb::NmrOneD 159450 Specdb::NmrOneD 159451 Specdb::NmrOneD 159452 Specdb::NmrOneD 159453 Specdb::NmrOneD 159454 Specdb::NmrOneD 159455 Specdb::NmrOneD 159456 Specdb::NmrOneD 159457 Specdb::NmrOneD 159458 Specdb::NmrOneD 159459 Specdb::NmrOneD 159460 Specdb::NmrOneD 159461 Specdb::NmrOneD 159462 Specdb::NmrOneD 159463 Specdb::NmrOneD 159464 Specdb::NmrOneD 159465 Specdb::NmrOneD 159466 Specdb::NmrOneD 159467 Specdb::NmrOneD 159468 Specdb::NmrOneD 159469 Specdb::MsMs 88392 Specdb::MsMs 88393 Specdb::MsMs 88394 Specdb::MsMs 151107 Specdb::MsMs 151108 Specdb::MsMs 151109 Specdb::MsMs 2730169 Specdb::MsMs 2730170 Specdb::MsMs 2730171 Specdb::MsMs 2975792 Specdb::MsMs 2975793 Specdb::MsMs 2975794 HMDB0029773 Alcoholic beverages Unknown generic Fruits Unknown generic