1.02010-04-08 22:10:34 UTC2019-11-26 03:08:04 UTCFDB013170(3b,12a,13b)-3-Hydroxy-12-oxo-28,13-oleanolide 3-acetateConstituent of Rhodomyrtus tomentosa (hill gooseberry). (3b,12a,13b)-3-Hydroxy-12-oxo-28,13-oleanolide 3-acetate is found in fruits.(3b,12a,13b)-3-Hydroxy-12-oxo-28,13-oleanolide 3-acetate3b-Acetoxy-12-oxo-28,13b-oleananolideC32H48O5512.7205512.3501746464,5,9,9,13,20,20-heptamethyl-16,23-dioxo-24-oxahexacyclo[15.5.2.0¹,¹⁸.0⁴,¹⁷.0⁵,¹⁴.0⁸,¹³]tetracosan-10-yl acetate4,5,9,9,13,20,20-heptamethyl-16,23-dioxo-24-oxahexacyclo[15.5.2.0¹,¹⁸.0⁴,¹⁷.0⁵,¹⁴.0⁸,¹³]tetracosan-10-yl acetate35959-11-6CC(=O)OC1CCC2(C)C(CCC3(C)C2CC(=O)C24OC(=O)C5(CCC(C)(C)CC25)CCC34C)C1(C)CInChI=1S/C32H48O5/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/h20-22,24H,9-18H2,1-8H3CWTOUABHZIFLIH-UHFFFAOYSA-N belongs to the class of organic compounds known as triterpenoids. These are terpene molecules containing six isoprene units.TriterpenoidsOrganic compoundsLipids and lipid-like moleculesPrenol lipidsTriterpenoidslogp5.43logs-6.85solubility7.17e-05 g/lmelting_pointMp 287-289°logp6.51pka_strongest_acidic18.39pka_strongest_basic-6.7iupac4,5,9,9,13,20,20-heptamethyl-16,23-dioxo-24-oxahexacyclo[15.5.2.0¹,¹⁸.0⁴,¹⁷.0⁵,¹⁴.0⁸,¹³]tetracosan-10-yl acetateaverage_mass512.7205mono_mass512.350174646smilesCC(=O)OC1CCC2(C)C(CCC3(C)C2CC(=O)C24OC(=O)C5(CCC(C)(C)CC25)CCC34C)C1(C)CformulaC32H48O5inchiInChI=1S/C32H48O5/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/h20-22,24H,9-18H2,1-8H3inchikeyCWTOUABHZIFLIH-UHFFFAOYSA-Npolar_surface_area69.67refractivity140.42polarizability59.3rotatable_bond_count2acceptor_count3donor_count0physiological_charge0formal_charge0Specdb::CMs20373Specdb::MsMs68832Specdb::MsMs68833Specdb::MsMs68834Specdb::MsMs126954Specdb::MsMs126955Specdb::MsMs126956Specdb::MsMs3052673Specdb::MsMs3052674Specdb::MsMs3052675Specdb::MsMs3113915Specdb::MsMs3113916Specdb::MsMs3113917HMDB34646#<Reference:0x000055567602d128>FruitsUnknowngeneric