1.0 2010-04-08 22:13:33 UTC 2019-11-26 03:15:48 UTC FDB018172 Glypallidifloric acid Occurs in roots of Glycyrrhiza uralensis (Chinese licorice) (isol. as Me ester). Glypallidifloric acid is found in herbs and spices. Glypallidifloric acid C30H46O3 454.6844 454.344695338 (2S,4aS,6aS,6bR,10S,12aS)-10-hydroxy-2,4a,6a,6b,9,9,12a-heptamethyl-1,2,3,4,4a,5,6,6a,6b,7,8,8a,9,10,11,12,12a,12b-octadecahydropicene-2-carboxylic acid (2S,4aS,6aS,6bR,10S,12aS)-10-hydroxy-2,4a,6a,6b,9,9,12a-heptamethyl-1,3,4,5,6,7,8,8a,10,11,12,12b-dodecahydropicene-2-carboxylic acid 17991-81-0 CC1(C)[C@@H](O)CC[C@@]2(C)C1CC[C@]1(C)C2C=CC2=C3C[C@](C)(CC[C@]3(C)CC[C@@]12C)C(O)=O InChI=1S/C30H46O3/c1-25(2)21-10-13-30(7)22(28(21,5)12-11-23(25)31)9-8-19-20-18-27(4,24(32)33)15-14-26(20,3)16-17-29(19,30)6/h8-9,21-23,31H,10-18H2,1-7H3,(H,32,33)/t21?,22?,23-,26+,27-,28-,29+,30+/m0/s1 TTYAJXXKGDEWSY-VXMMCASNSA-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 homopolycyclic compounds Carbonyl compounds Carboxylic acids Cyclic alcohols and derivatives Hydrocarbon derivatives Monocarboxylic acids and derivatives Organic oxides Secondary alcohols Alcohol Aliphatic homopolycyclic compound Carbonyl group Carboxylic acid Carboxylic acid derivative Cyclic alcohol Hydrocarbon derivative Monocarboxylic acid or derivatives Organic oxide Organic oxygen compound Organooxygen compound Secondary alcohol Triterpenoid logp 6.18 ALOGPS logs -5.51 ALOGPS solubility 1.40e-03 g/l ALOGPS melting_point Mp 308-312 dec. (synthetic) logp 6.19 ChemAxon pka_strongest_acidic 4.58 ChemAxon pka_strongest_basic -0.84 ChemAxon iupac (2S,4aS,6aS,6bR,10S,12aS)-10-hydroxy-2,4a,6a,6b,9,9,12a-heptamethyl-1,2,3,4,4a,5,6,6a,6b,7,8,8a,9,10,11,12,12a,12b-octadecahydropicene-2-carboxylic acid ChemAxon average_mass 454.6844 ChemAxon mono_mass 454.344695338 ChemAxon smiles CC1(C)[C@@H](O)CC[C@@]2(C)C1CC[C@]1(C)C2C=CC2=C3C[C@](C)(CC[C@]3(C)CC[C@@]12C)C(O)=O ChemAxon formula C30H46O3 ChemAxon inchi InChI=1S/C30H46O3/c1-25(2)21-10-13-30(7)22(28(21,5)12-11-23(25)31)9-8-19-20-18-27(4,24(32)33)15-14-26(20,3)16-17-29(19,30)6/h8-9,21-23,31H,10-18H2,1-7H3,(H,32,33)/t21?,22?,23-,26+,27-,28-,29+,30+/m0/s1 ChemAxon inchikey TTYAJXXKGDEWSY-VXMMCASNSA-N ChemAxon polar_surface_area 57.53 ChemAxon refractivity 134.47 ChemAxon polarizability 54.07 ChemAxon rotatable_bond_count 1 ChemAxon acceptor_count 3 ChemAxon donor_count 2 ChemAxon physiological_charge -1 ChemAxon formal_charge 0 ChemAxon Specdb::CMs 16179 Specdb::CMs 46038 Specdb::CMs 166598 Specdb::MsMs 69888 Specdb::MsMs 69889 Specdb::MsMs 69890 Specdb::MsMs 128259 Specdb::MsMs 128260 Specdb::MsMs 128261 Specdb::MsMs 2455198 Specdb::MsMs 2455199 Specdb::MsMs 2455200 Specdb::MsMs 2479615 Specdb::MsMs 2479616 Specdb::MsMs 2479617 HMDB38758 #<Reference:0x000055ce31d09aa8> Herbs and Spices Unknown generic