1.0 2010-04-08 22:10:58 UTC 2019-11-26 03:09:17 UTC FDB013912 3beta-3,24-Dihydroxy-9(11),12-oleanadien-30-oic acid Isolated from Glycyrrhiza glabra (licorice). 3beta-3,24-Dihydroxy-9(11),12-oleanadien-30-oic acid is found in tea and herbs and spices. C30H46O4 470.6838 470.33960996 10-hydroxy-9-(hydroxymethyl)-2,4a,6a,6b,9,12a-hexamethyl-1,2,3,4,4a,5,6,6a,6b,7,8,8a,9,10,11,12,12a,14b-octadecahydropicene-2-carboxylic acid 10-hydroxy-9-(hydroxymethyl)-2,4a,6a,6b,9,12a-hexamethyl-1,3,4,5,6,7,8,8a,10,11,12,14b-dodecahydropicene-2-carboxylic acid 56262-33-0 CC12CCC(C)(CC1C1=CC=C3C4(C)CCC(O)C(C)(CO)C4CCC3(C)C1(C)CC2)C(O)=O InChI=1S/C30H46O4/c1-25-13-14-26(2,24(33)34)17-20(25)19-7-8-22-27(3)11-10-23(32)28(4,18-31)21(27)9-12-30(22,6)29(19,5)16-15-25/h7-8,20-21,23,31-32H,9-18H2,1-6H3,(H,33,34) DHANXHHFIWKYCW-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 homopolycyclic compounds Carbonyl compounds Carboxylic acids Cyclic alcohols and derivatives Hydrocarbon derivatives Monocarboxylic acids and derivatives Organic oxides Primary alcohols Secondary alcohols Steroids and steroid derivatives 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 Primary alcohol Secondary alcohol Steroid Triterpenoid logp 6.15 ALOGPS logs -5.09 ALOGPS solubility 3.80e-03 g/l ALOGPS melting_point Mp 265-267° (as Me ester) logp 4.91 ChemAxon pka_strongest_acidic 4.59 ChemAxon pka_strongest_basic -2.8 ChemAxon iupac 10-hydroxy-9-(hydroxymethyl)-2,4a,6a,6b,9,12a-hexamethyl-1,2,3,4,4a,5,6,6a,6b,7,8,8a,9,10,11,12,12a,14b-octadecahydropicene-2-carboxylic acid ChemAxon average_mass 470.6838 ChemAxon mono_mass 470.33960996 ChemAxon smiles CC12CCC(C)(CC1C1=CC=C3C4(C)CCC(O)C(C)(CO)C4CCC3(C)C1(C)CC2)C(O)=O ChemAxon formula C30H46O4 ChemAxon inchi InChI=1S/C30H46O4/c1-25-13-14-26(2,24(33)34)17-20(25)19-7-8-22-27(3)11-10-23(32)28(4,18-31)21(27)9-12-30(22,6)29(19,5)16-15-25/h7-8,20-21,23,31-32H,9-18H2,1-6H3,(H,33,34) ChemAxon inchikey DHANXHHFIWKYCW-UHFFFAOYSA-N ChemAxon polar_surface_area 77.76 ChemAxon refractivity 136.25 ChemAxon polarizability 55.81 ChemAxon rotatable_bond_count 2 ChemAxon acceptor_count 4 ChemAxon donor_count 3 ChemAxon physiological_charge -1 ChemAxon formal_charge 0 ChemAxon Specdb::CMs 15684 Specdb::CMs 44280 Specdb::CMs 162578 Specdb::MsMs 97254 Specdb::MsMs 97255 Specdb::MsMs 97256 Specdb::MsMs 161940 Specdb::MsMs 161941 Specdb::MsMs 161942 Specdb::MsMs 2675803 Specdb::MsMs 2675804 Specdb::MsMs 2675805 Specdb::MsMs 3033797 Specdb::MsMs 3033798 Specdb::MsMs 3033799 HMDB35252 #<Reference:0x000055ce300beba0> 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