1.0 2010-04-08 22:11:20 UTC 2019-11-26 03:10:18 UTC FDB014541 Desoxoglabrolide Saponin from Glycyrrhiza glabra (licorice). Desoxoglabrolide is found in tea and herbs and spices. 3b-Hydroxy-12-oleanen-30,22b-olide Desoxoglabrolide C30H46O3 454.6844 454.344695338 11-hydroxy-2,5,6,10,10,14,21-heptamethyl-23-oxahexacyclo[19.2.1.0²,¹⁹.0⁵,¹⁸.0⁶,¹⁵.0⁹,¹⁴]tetracos-17-en-22-one 11-hydroxy-2,5,6,10,10,14,21-heptamethyl-23-oxahexacyclo[19.2.1.0²,¹⁹.0⁵,¹⁸.0⁶,¹⁵.0⁹,¹⁴]tetracos-17-en-22-one 10379-62-1 CC12CC(OC1=O)C1(C)CCC3(C)C(=CCC4C5(C)CCC(O)C(C)(C)C5CCC34C)C1C2 InChI=1S/C30H46O3/c1-25(2)20-10-13-30(7)21(28(20,5)12-11-22(25)31)9-8-18-19-16-26(3)17-23(33-24(26)32)27(19,4)14-15-29(18,30)6/h8,19-23,31H,9-17H2,1-7H3 HHQJBWYXBWOFJY-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 Gamma butyrolactones Hydrocarbon derivatives Monocarboxylic acids and derivatives Organic oxides Oxacyclic compounds Oxepanes Secondary alcohols Tetrahydrofurans Alcohol Aliphatic heteropolycyclic compound Caprolactone Carbonyl group Carboxylic acid derivative Carboxylic acid ester Cyclic alcohol Gamma butyrolactone Hydrocarbon derivative Lactone Monocarboxylic acid or derivatives Organic oxide Organic oxygen compound Organoheterocyclic compound Organooxygen compound Oxacycle Oxepane Secondary alcohol Tetrahydrofuran Triterpenoid logp 6.28 ALOGPS logs -6.01 ALOGPS solubility 4.49e-04 g/l ALOGPS melting_point Mp 274-278° logp 6.03 ChemAxon pka_strongest_acidic 19.49 ChemAxon pka_strongest_basic -0.84 ChemAxon iupac 11-hydroxy-2,5,6,10,10,14,21-heptamethyl-23-oxahexacyclo[19.2.1.0²,¹⁹.0⁵,¹⁸.0⁶,¹⁵.0⁹,¹⁴]tetracos-17-en-22-one ChemAxon average_mass 454.6844 ChemAxon mono_mass 454.344695338 ChemAxon smiles CC12CC(OC1=O)C1(C)CCC3(C)C(=CCC4C5(C)CCC(O)C(C)(C)C5CCC34C)C1C2 ChemAxon formula C30H46O3 ChemAxon inchi InChI=1S/C30H46O3/c1-25(2)20-10-13-30(7)21(28(20,5)12-11-22(25)31)9-8-18-19-16-26(3)17-23(33-24(26)32)27(19,4)14-15-29(18,30)6/h8,19-23,31H,9-17H2,1-7H3 ChemAxon inchikey HHQJBWYXBWOFJY-UHFFFAOYSA-N ChemAxon polar_surface_area 46.53 ChemAxon refractivity 131.65 ChemAxon polarizability 54.01 ChemAxon rotatable_bond_count 0 ChemAxon acceptor_count 2 ChemAxon donor_count 1 ChemAxon physiological_charge 0 ChemAxon formal_charge 0 ChemAxon Specdb::CMs 23702 Specdb::CMs 44564 Specdb::CMs 116050 Specdb::CMs 120522 Specdb::CMs 127340 Specdb::CMs 166388 Specdb::MsMs 88989 Specdb::MsMs 88990 Specdb::MsMs 88991 Specdb::MsMs 151824 Specdb::MsMs 151825 Specdb::MsMs 151826 Specdb::MsMs 2744901 Specdb::MsMs 2744902 Specdb::MsMs 2744903 Specdb::MsMs 2937436 Specdb::MsMs 2937437 Specdb::MsMs 2937438 HMDB35791 #<Reference:0x000055ce315dc280> Black tea Type 1 Green tea Type 1 Herbal tea Type 1 Herbs and Spices Unknown generic Red tea Type 1 Tea Type 1 specific Camellia sinensis 4442