1.0 2010-04-08 22:14:16 UTC 2019-11-26 03:17:23 UTC FDB019318 21-Hydroxyisoglabrolide Constituent of Glycyrrhiza glabra (licorice). 21-Hydroxyisoglabrolide is found in tea and herbs and spices. 21-Hydroxyisoglabrolide 3,21-Dihydroxy-11-oxo-12-oleanen-29,18-olide 6alpha-Methyl-11-oxo-progesterone 6alpha-Methyl-11-oxoprogesterone 6alpha-Methylpregn-4-ene-3,11,20-trione Pregn-4-ene-3,11,20-trione, 6-methyl-, (6alpha)- (9CI) Pregn-4-ene-3,11,20-trione, 6alpha-methyl- (8CI) Progesterone, 6alpha-methyl-11-oxo- C30H44O5 484.6674 484.318874518 9,20-dihydroxy-6,10,10,14,15,18,21-heptamethyl-23-oxahexacyclo[19.2.1.0¹,¹⁸.0²,¹⁵.0⁵,¹⁴.0⁶,¹¹]tetracos-2-ene-4,22-dione 9,20-dihydroxy-6,10,10,14,15,18,21-heptamethyl-23-oxahexacyclo[19.2.1.0¹,¹⁸.0²,¹⁵.0⁵,¹⁴.0⁶,¹¹]tetracos-2-ene-4,22-dione 18184-25-3 CC12CC3(OC1=O)C1=CC(=O)C4C5(C)CCC(O)C(C)(C)C5CCC4(C)C1(C)CCC3(C)CC2O InChI=1S/C30H44O5/c1-24(2)18-8-11-29(7)22(26(18,4)10-9-20(24)32)17(31)14-19-28(29,6)13-12-25(3)15-21(33)27(5)16-30(19,25)35-23(27)34/h14,18,20-22,32-33H,8-13,15-16H2,1-7H3 PTBIPWZVPOYGSK-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 Carboxylic acid esters Cyclic alcohols and derivatives Cyclohexenones 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 Cyclohexenone Gamma butyrolactone Hydrocarbon derivative Ketone Lactone Monocarboxylic acid or derivatives Organic oxide Organic oxygen compound Organoheterocyclic compound Organooxygen compound Oxacycle Oxepane Secondary alcohol Tetrahydrofuran Triterpenoid logp 4.11 ALOGPS logs -5.42 ALOGPS solubility 1.82e-03 g/l ALOGPS melting_point Mp 304-305° logp 4.46 ChemAxon pka_strongest_acidic 14.44 ChemAxon pka_strongest_basic -0.84 ChemAxon iupac 9,20-dihydroxy-6,10,10,14,15,18,21-heptamethyl-23-oxahexacyclo[19.2.1.0¹,¹⁸.0²,¹⁵.0⁵,¹⁴.0⁶,¹¹]tetracos-2-ene-4,22-dione ChemAxon average_mass 484.6674 ChemAxon mono_mass 484.318874518 ChemAxon smiles CC12CC3(OC1=O)C1=CC(=O)C4C5(C)CCC(O)C(C)(C)C5CCC4(C)C1(C)CCC3(C)CC2O ChemAxon formula C30H44O5 ChemAxon inchi InChI=1S/C30H44O5/c1-24(2)18-8-11-29(7)22(26(18,4)10-9-20(24)32)17(31)14-19-28(29,6)13-12-25(3)15-21(33)27(5)16-30(19,25)35-23(27)34/h14,18,20-22,32-33H,8-13,15-16H2,1-7H3 ChemAxon inchikey PTBIPWZVPOYGSK-UHFFFAOYSA-N ChemAxon polar_surface_area 83.83 ChemAxon refractivity 133.67 ChemAxon polarizability 55.34 ChemAxon rotatable_bond_count 0 ChemAxon acceptor_count 4 ChemAxon donor_count 2 ChemAxon physiological_charge 0 ChemAxon formal_charge 0 ChemAxon Specdb::CMs 25467 Specdb::CMs 46514 Specdb::CMs 134123 Specdb::CMs 141857 Specdb::MsMs 7253 Specdb::MsMs 7254 Specdb::MsMs 7255 Specdb::MsMs 13925 Specdb::MsMs 13926 Specdb::MsMs 13927 Specdb::MsMs 2846597 Specdb::MsMs 2846598 Specdb::MsMs 2846599 Specdb::MsMs 2862373 Specdb::MsMs 2862374 Specdb::MsMs 2862375 HMDB39689 #<Reference:0x000055ce3318dfb0> 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