1.0 2010-04-08 22:10:52 UTC 2019-11-26 03:08:57 UTC FDB013732 Lansioside C From Lansium domesticum (langsat). Lansioside C is found in fruits. Lansioside C C35H56O7 588.8149 588.402604146 3-[2-(2-{5,5,8a-trimethyl-2-methylidene-6-[(3,4,5-trihydroxyoxan-2-yl)oxy]-decahydronaphthalen-1-yl}ethyl)-1,3-dimethyl-6-(prop-1-en-2-yl)cyclohex-3-en-1-yl]propanoic acid 3-[2-(2-{5,5,8a-trimethyl-2-methylidene-6-[(3,4,5-trihydroxyoxan-2-yl)oxy]-hexahydro-1H-naphthalen-1-yl}ethyl)-1,3-dimethyl-6-(prop-1-en-2-yl)cyclohex-3-en-1-yl]propanoic acid 87453-35-8 CC(=C)C1CC=C(C)C(CCC2C(=C)CCC3C(C)(C)C(CCC23C)OC2OCC(O)C(O)C2O)C1(C)CCC(O)=O InChI=1S/C35H56O7/c1-20(2)23-11-9-21(3)24(34(23,7)18-16-29(37)38)12-13-25-22(4)10-14-27-33(5,6)28(15-17-35(25,27)8)42-32-31(40)30(39)26(36)19-41-32/h9,23-28,30-32,36,39-40H,1,4,10-19H2,2-3,5-8H3,(H,37,38) ILGQYZQREAJTIJ-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 heteropolycyclic compounds Acetals Bicyclic monoterpenoids Carbonyl compounds Carboxylic acids Hydrocarbon derivatives Menthane monoterpenoids Monocarboxylic acids and derivatives Monosaccharides Organic oxides Oxacyclic compounds Oxanes Polyols Secondary alcohols Acetal Alcohol Aliphatic heteropolycyclic compound Bicyclic monoterpenoid Carbonyl group Carboxylic acid Carboxylic acid derivative Hydrocarbon derivative Monocarboxylic acid or derivatives Monosaccharide Monoterpenoid O-glycosyl compound Organic oxide Organoheterocyclic compound Oxacycle Oxane P-menthane monoterpenoid Polyol Secondary alcohol logp 5.40 ALOGPS logs -4.87 ALOGPS solubility 8.04e-03 g/l ALOGPS melting_point Mp 124.5-126° logp 5.61 ChemAxon pka_strongest_acidic 4.62 ChemAxon pka_strongest_basic -3.5 ChemAxon iupac 3-[2-(2-{5,5,8a-trimethyl-2-methylidene-6-[(3,4,5-trihydroxyoxan-2-yl)oxy]-decahydronaphthalen-1-yl}ethyl)-1,3-dimethyl-6-(prop-1-en-2-yl)cyclohex-3-en-1-yl]propanoic acid ChemAxon average_mass 588.8149 ChemAxon mono_mass 588.402604146 ChemAxon smiles CC(=C)C1CC=C(C)C(CCC2C(=C)CCC3C(C)(C)C(CCC23C)OC2OCC(O)C(O)C2O)C1(C)CCC(O)=O ChemAxon formula C35H56O7 ChemAxon inchi InChI=1S/C35H56O7/c1-20(2)23-11-9-21(3)24(34(23,7)18-16-29(37)38)12-13-25-22(4)10-14-27-33(5,6)28(15-17-35(25,27)8)42-32-31(40)30(39)26(36)19-41-32/h9,23-28,30-32,36,39-40H,1,4,10-19H2,2-3,5-8H3,(H,37,38) ChemAxon inchikey ILGQYZQREAJTIJ-UHFFFAOYSA-N ChemAxon polar_surface_area 116.45 ChemAxon refractivity 163.56 ChemAxon polarizability 67.88 ChemAxon rotatable_bond_count 9 ChemAxon acceptor_count 7 ChemAxon donor_count 4 ChemAxon physiological_charge -1 ChemAxon formal_charge 0 ChemAxon Specdb::MsMs 74436 Specdb::MsMs 74437 Specdb::MsMs 74438 Specdb::MsMs 133821 Specdb::MsMs 133822 Specdb::MsMs 133823 Specdb::MsMs 2768588 Specdb::MsMs 2768589 Specdb::MsMs 2768590 Specdb::MsMs 2913728 Specdb::MsMs 2913729 Specdb::MsMs 2913730 Specdb::CMs 13867 Specdb::CMs 44189 Specdb::CMs 282825 Specdb::CMs 414327 Specdb::CMs 414328 Specdb::CMs 414329 Specdb::CMs 414330 Specdb::CMs 414331 Specdb::CMs 414332 Specdb::CMs 414333 Specdb::CMs 414334 Specdb::CMs 414335 Specdb::CMs 414336 Specdb::CMs 414337 Specdb::CMs 414338 Specdb::CMs 414339 Specdb::CMs 414340 Specdb::CMs 414341 Specdb::CMs 414342 Specdb::CMs 414343 Specdb::CMs 414344 Specdb::CMs 414345 Specdb::CMs 414346 Specdb::CMs 414347 Specdb::CMs 414348 HMDB35103 #<Reference:0x000055ce320c6948> Fruits Unknown generic