1.0 2010-04-08 22:15:20 UTC 2025-11-19 02:34:24 UTC FDB020896 Hovenidulcigenin A Sapogenin from Hovenia dulcis (raisin tree) C32H48O7 544.7193 544.34000389 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-oxo-2,5-dihydrofuran-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-oxo-2H-furan-2-yl)butan-2-yl acetate 171499-81-3 CC(C(CC1OC(=O)C(C)=C1)OC(C)=O)C1CCC2C3(C)CCC(O)C(C)(C)C3CCC2(C)C11COC(=O)C1 InChI=1S/C32H48O7/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/h14,19,21-26,34H,8-13,15-17H2,1-7H3 CMKWUYXJKXGQMH-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 Butenolides Carbonyl compounds Cyclic alcohols and derivatives Diterpenoids Enoate esters Gamma butyrolactones Hydrocarbon derivatives Organic oxides Oxacyclic compounds Phenanthrenes and derivatives Secondary alcohols Tetrahydrofurans Tricarboxylic acids and derivatives 2-furanone Abeoabietane diterpenoid Alcohol Aliphatic heteropolycyclic compound Alpha,beta-unsaturated carboxylic ester Carbonyl group Carboxylic acid derivative Carboxylic acid ester Cyclic alcohol Dihydrofuran Diterpene lactone Diterpenoid Enoate ester Gamma butyrolactone Hydrocarbon derivative Lactone Organic oxide Organic oxygen compound Organoheterocyclic compound Organooxygen compound Oxacycle Phenanthrene Secondary alcohol Tetrahydrofuran Tricarboxylic acid or derivatives logp 4.56 ALOGPS logs -5.86 ALOGPS solubility 7.46e-04 g/l ALOGPS melting_point Mp 230-233° logp 4.76 ChemAxon pka_strongest_acidic 14.38 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-oxo-2,5-dihydrofuran-2-yl)butan-2-yl acetate ChemAxon average_mass 544.7193 ChemAxon mono_mass 544.34000389 ChemAxon smiles CC(C(CC1OC(=O)C(C)=C1)OC(C)=O)C1CCC2C3(C)CCC(O)C(C)(C)C3CCC2(C)C11COC(=O)C1 ChemAxon formula C32H48O7 ChemAxon inchi InChI=1S/C32H48O7/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/h14,19,21-26,34H,8-13,15-17H2,1-7H3 ChemAxon inchikey CMKWUYXJKXGQMH-UHFFFAOYSA-N ChemAxon polar_surface_area 99.13 ChemAxon refractivity 146.2 ChemAxon polarizability 61.03 ChemAxon rotatable_bond_count 6 ChemAxon acceptor_count 4 ChemAxon donor_count 1 ChemAxon physiological_charge 0 ChemAxon formal_charge 0 ChemAxon Specdb::MsMs 304354 Specdb::MsMs 304355 Specdb::MsMs 304356 Specdb::MsMs 347521 Specdb::MsMs 347522 Specdb::MsMs 347523 Specdb::MsMs 2817750 Specdb::MsMs 2817751 Specdb::MsMs 2817752 Specdb::MsMs 2887232 Specdb::MsMs 2887233 Specdb::MsMs 2887234 Specdb::CMs 17347 Specdb::CMs 47071 Specdb::CMs 281577 Specdb::CMs 290859 HMDB41027 #<Reference:0x000055ce2ed40600>