1.0 2010-04-08 22:12:49 UTC 2025-11-19 01:51:47 UTC FDB017060 Madlongiside C Constituent of the famine food Madhuca longifolia. Madlongiside C is found in fruits. Madlongiside C C35H56O10 636.8131 636.387348012 3,4,5-trihydroxyoxan-2-yl 8,10,11-trihydroxy-9-(hydroxymethyl)-2,2,6a,6b,9,12a-hexamethyl-1,2,3,4,4a,5,6,6a,6b,7,8,8a,9,10,11,12,12a,12b,13,14b-icosahydropicene-4a-carboxylate 3,4,5-trihydroxyoxan-2-yl 8,10,11-trihydroxy-9-(hydroxymethyl)-2,2,6a,6b,9,12a-hexamethyl-1,3,4,5,6,7,8,8a,10,11,12,12b,13,14b-tetradecahydropicene-4a-carboxylate 67258-70-2 CC1(C)CCC2(CCC3(C)C(=CCC4C5(C)CC(O)C(O)C(C)(CO)C5C(O)CC34C)C2C1)C(=O)OC1OCC(O)C(O)C1O InChI=1S/C35H56O10/c1-30(2)9-11-35(29(43)45-28-25(41)24(40)22(39)16-44-28)12-10-33(5)18(19(35)13-30)7-8-23-31(3)14-21(38)27(42)32(4,17-36)26(31)20(37)15-34(23,33)6/h7,19-28,36-42H,8-17H2,1-6H3 LHEBDLOFQQYJHH-UHFFFAOYSA-N belongs to the class of organic compounds known as triterpenoids. These are terpene molecules containing six isoprene units. Triterpenoids Organic compounds Lipids and lipid-like molecules Prenol lipids Triterpenoids Aliphatic heteropolycyclic compounds 12-hydroxysteroids 7-hydroxysteroids Acetals Carbonyl compounds Carboxylic acid esters Cyclic alcohols and derivatives Hydrocarbon derivatives Monocarboxylic acids and derivatives Monosaccharides Organic oxides Oxacyclic compounds Oxanes Polyols Primary alcohols Secondary alcohols 12-hydroxysteroid 7-hydroxysteroid Acetal Alcohol Aliphatic heteropolycyclic compound Carbonyl group Carboxylic acid derivative Carboxylic acid ester Cyclic alcohol Hydrocarbon derivative Hydroxysteroid Monocarboxylic acid or derivatives Monosaccharide Organic oxide Organic oxygen compound Organoheterocyclic compound Organooxygen compound Oxacycle Oxane Polyol Primary alcohol Secondary alcohol Steroid Triterpenoid logp 1.84 ALOGPS logs -3.59 ALOGPS solubility 1.63e-01 g/l ALOGPS melting_point Mp 196-198° logp 1.29 ChemAxon pka_strongest_acidic 12.21 ChemAxon pka_strongest_basic -2.8 ChemAxon iupac 3,4,5-trihydroxyoxan-2-yl 8,10,11-trihydroxy-9-(hydroxymethyl)-2,2,6a,6b,9,12a-hexamethyl-1,2,3,4,4a,5,6,6a,6b,7,8,8a,9,10,11,12,12a,12b,13,14b-icosahydropicene-4a-carboxylate ChemAxon average_mass 636.8131 ChemAxon mono_mass 636.387348012 ChemAxon smiles CC1(C)CCC2(CCC3(C)C(=CCC4C5(C)CC(O)C(O)C(C)(CO)C5C(O)CC34C)C2C1)C(=O)OC1OCC(O)C(O)C1O ChemAxon formula C35H56O10 ChemAxon inchi InChI=1S/C35H56O10/c1-30(2)9-11-35(29(43)45-28-25(41)24(40)22(39)16-44-28)12-10-33(5)18(19(35)13-30)7-8-23-31(3)14-21(38)27(42)32(4,17-36)26(31)20(37)15-34(23,33)6/h7,19-28,36-42H,8-17H2,1-6H3 ChemAxon inchikey LHEBDLOFQQYJHH-UHFFFAOYSA-N ChemAxon polar_surface_area 177.14 ChemAxon refractivity 164.82 ChemAxon polarizability 70.25 ChemAxon rotatable_bond_count 4 ChemAxon acceptor_count 9 ChemAxon donor_count 7 ChemAxon physiological_charge 0 ChemAxon formal_charge 0 ChemAxon Specdb::MsMs 12374 Specdb::MsMs 12375 Specdb::MsMs 12376 Specdb::MsMs 19046 Specdb::MsMs 19047 Specdb::MsMs 19048 Specdb::MsMs 2699470 Specdb::MsMs 2699471 Specdb::MsMs 2699472 Specdb::MsMs 3005874 Specdb::MsMs 3005875 Specdb::MsMs 3005876 Specdb::CMs 16385 Specdb::CMs 595836 Specdb::CMs 595837 Specdb::CMs 595838 Specdb::CMs 595839 Specdb::CMs 595840 Specdb::CMs 595841 Specdb::CMs 595842 Specdb::CMs 595843 Specdb::CMs 595844 Specdb::CMs 595845 Specdb::CMs 595846 Specdb::CMs 595847 Specdb::CMs 595848 Specdb::CMs 595849 Specdb::CMs 595850 Specdb::CMs 595851 Specdb::CMs 595852 Specdb::CMs 595853 Specdb::CMs 595854 Specdb::CMs 595855 Specdb::CMs 595856 Specdb::CMs 595857 Specdb::CMs 595858 Specdb::CMs 595859 HMDB37904 #<Reference:0x000055ce32ffb008> Fruits Unknown generic