1.0 2010-04-08 22:15:45 UTC 2025-11-19 02:38:24 UTC FDB021530 Hovenidulcigenin B Sapogenin from Hovenia dulcis (raisin tree) Hovenidulcigenin B C32H50O7 546.7352 546.355653954 3-{7'-hydroxy-4'b,8',8',10'a-tetramethyl-5-oxo-dodecahydro-2'H-spiro[oxolane-3,1'-phenanthrene]-2'-yl}-1-(4-methyl-5-oxooxolan-2-yl)butan-2-yl acetate 3-{7'-hydroxy-4'b,8',8',10'a-tetramethyl-5-oxo-decahydrospiro[oxolane-3,1'-phenanthrene]-2'-yl}-1-(4-methyl-5-oxooxolan-2-yl)butan-2-yl acetate 182173-50-8 CC(C(CC1CC(C)C(=O)O1)OC(C)=O)C1CCC2C3(C)CCC(O)C(C)(C)C3CCC2(C)C11COC(=O)C1 InChI=1S/C32H50O7/c1-18-14-21(39-28(18)36)15-23(38-20(3)33)19(2)22-8-9-25-30(6)12-11-26(34)29(4,5)24(30)10-13-31(25,7)32(22)16-27(35)37-17-32/h18-19,21-26,34H,8-17H2,1-7H3 MXWZRFQGLOGOMW-UHFFFAOYSA-N belongs to the class of organic compounds known as diterpene lactones. These are diterpenoids containing a lactone moiety. Diterpene lactones Organic compounds Lipids and lipid-like molecules Prenol lipids Terpene lactones Aliphatic heteropolycyclic compounds Carbonyl compounds Carboxylic acid esters Cyclic alcohols and derivatives Diterpenoids Gamma butyrolactones Hydrocarbon derivatives Organic oxides Oxacyclic compounds Phenanthrenes and derivatives Secondary alcohols Tetrahydrofurans Tricarboxylic acids and derivatives Abeoabietane diterpenoid Alcohol Aliphatic heteropolycyclic compound Carbonyl group Carboxylic acid derivative Carboxylic acid ester Cyclic alcohol Diterpene lactone Diterpenoid Gamma butyrolactone Hydrocarbon derivative Lactone Organic oxide Organic oxygen compound Organoheterocyclic compound Organooxygen compound Oxacycle Phenanthrene Secondary alcohol Tetrahydrofuran Tricarboxylic acid or derivatives logp 4.49 ALOGPS logs -5.90 ALOGPS solubility 6.93e-04 g/l ALOGPS melting_point Mp 205-208° logp 4.52 ChemAxon pka_strongest_acidic 19.49 ChemAxon pka_strongest_basic -0.84 ChemAxon iupac 3-{7'-hydroxy-4'b,8',8',10'a-tetramethyl-5-oxo-dodecahydro-2'H-spiro[oxolane-3,1'-phenanthrene]-2'-yl}-1-(4-methyl-5-oxooxolan-2-yl)butan-2-yl acetate ChemAxon average_mass 546.7352 ChemAxon mono_mass 546.355653954 ChemAxon smiles CC(C(CC1CC(C)C(=O)O1)OC(C)=O)C1CCC2C3(C)CCC(O)C(C)(C)C3CCC2(C)C11COC(=O)C1 ChemAxon formula C32H50O7 ChemAxon inchi InChI=1S/C32H50O7/c1-18-14-21(39-28(18)36)15-23(38-20(3)33)19(2)22-8-9-25-30(6)12-11-26(34)29(4,5)24(30)10-13-31(25,7)32(22)16-27(35)37-17-32/h18-19,21-26,34H,8-17H2,1-7H3 ChemAxon inchikey MXWZRFQGLOGOMW-UHFFFAOYSA-N ChemAxon polar_surface_area 99.13 ChemAxon refractivity 145.48 ChemAxon polarizability 61.46 ChemAxon rotatable_bond_count 6 ChemAxon acceptor_count 4 ChemAxon donor_count 1 ChemAxon physiological_charge 0 ChemAxon formal_charge 0 ChemAxon Specdb::CMs 24192 Specdb::CMs 47380 Specdb::CMs 281627 Specdb::CMs 304425 Specdb::MsMs 319606 Specdb::MsMs 319607 Specdb::MsMs 319608 Specdb::MsMs 366760 Specdb::MsMs 366761 Specdb::MsMs 366762 Specdb::MsMs 2343458 Specdb::MsMs 2343459 Specdb::MsMs 2343460 Specdb::MsMs 2595088 Specdb::MsMs 2595089 Specdb::MsMs 2595090 HMDB41547 #<Reference:0x000055ce3183ae50>