1.0 2010-04-08 22:10:34 UTC 2019-11-26 03:08:04 UTC FDB013171 Oleanderolide 3-acetate Constituent of Rhodomyrtus tomentosa (hill gooseberry). Oleanderolide 3-acetate is found in fruits. (3b,12a,13b)-3,12-Dihydroxy-28,13-oleananolide 3-acetate 3,12-Dihydroxy-28,13-oleananolide 3-acetate Oleanderolide 3-acetate C32H50O5 514.7364 514.36582471 16-hydroxy-4,5,9,9,13,20,20-heptamethyl-23-oxo-24-oxahexacyclo[15.5.2.0¹,¹⁸.0⁴,¹⁷.0⁵,¹⁴.0⁸,¹³]tetracosan-10-yl acetate 16-hydroxy-4,5,9,9,13,20,20-heptamethyl-23-oxo-24-oxahexacyclo[15.5.2.0¹,¹⁸.0⁴,¹⁷.0⁵,¹⁴.0⁸,¹³]tetracosan-10-yl acetate 62498-83-3 CC(=O)OC1CCC2(C)C(CCC3(C)C2CC(O)C24OC(=O)C5(CCC(C)(C)CC25)CCC34C)C1(C)C InChI=1S/C32H50O5/c1-19(33)36-24-10-11-28(6)20(27(24,4)5)9-12-29(7)21(28)17-23(34)32-22-18-26(2,3)13-15-31(22,25(35)37-32)16-14-30(29,32)8/h20-24,34H,9-18H2,1-8H3 SFSFDBPTPLSWRM-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 Carbonyl compounds Carboxylic acid esters Cyclic alcohols and derivatives Dicarboxylic acids and derivatives Gamma butyrolactones Hydrocarbon derivatives Organic oxides Oxacyclic compounds Oxepanes Secondary alcohols Tetrahydrofurans Alcohol Aliphatic heteropolycyclic compound Caprolactone Carbonyl group Carboxylic acid derivative Carboxylic acid ester Cyclic alcohol Dicarboxylic acid or derivatives Gamma butyrolactone Hydrocarbon derivative Lactone Organic oxide Organic oxygen compound Organoheterocyclic compound Organooxygen compound Oxacycle Oxepane Secondary alcohol Tetrahydrofuran Triterpenoid logp 5.76 ALOGPS logs -6.45 ALOGPS solubility 1.85e-04 g/l ALOGPS melting_point Mp 301-303° (284-286°) logp 5.95 ChemAxon pka_strongest_acidic 13.93 ChemAxon pka_strongest_basic -3.3 ChemAxon iupac 16-hydroxy-4,5,9,9,13,20,20-heptamethyl-23-oxo-24-oxahexacyclo[15.5.2.0¹,¹⁸.0⁴,¹⁷.0⁵,¹⁴.0⁸,¹³]tetracosan-10-yl acetate ChemAxon average_mass 514.7364 ChemAxon mono_mass 514.36582471 ChemAxon smiles CC(=O)OC1CCC2(C)C(CCC3(C)C2CC(O)C24OC(=O)C5(CCC(C)(C)CC25)CCC34C)C1(C)C ChemAxon formula C32H50O5 ChemAxon inchi InChI=1S/C32H50O5/c1-19(33)36-24-10-11-28(6)20(27(24,4)5)9-12-29(7)21(28)17-23(34)32-22-18-26(2,3)13-15-31(22,25(35)37-32)16-14-30(29,32)8/h20-24,34H,9-18H2,1-8H3 ChemAxon inchikey SFSFDBPTPLSWRM-UHFFFAOYSA-N ChemAxon polar_surface_area 72.83 ChemAxon refractivity 141.25 ChemAxon polarizability 60.31 ChemAxon rotatable_bond_count 2 ChemAxon acceptor_count 3 ChemAxon donor_count 1 ChemAxon physiological_charge 0 ChemAxon formal_charge 0 ChemAxon Specdb::CMs 16230 Specdb::CMs 43969 Specdb::MsMs 55002 Specdb::MsMs 55003 Specdb::MsMs 55004 Specdb::MsMs 124977 Specdb::MsMs 124978 Specdb::MsMs 124979 Specdb::MsMs 2375906 Specdb::MsMs 2375907 Specdb::MsMs 2375908 Specdb::MsMs 2560221 Specdb::MsMs 2560222 Specdb::MsMs 2560223 HMDB34647 #<Reference:0x000055ce32cf4120> Fruits Unknown generic