1.0 2010-04-08 22:11:20 UTC 2019-11-26 03:10:20 UTC FDB014564 19-Dehydroursolic acid Constituent of Sanguisorba officinalis (burnet bloodwort). 19-Dehydroursolic acid is found in tea and herbs and spices. 19-Dehydroursolic acid Sanguisorbigenin Tomentosolic acid C30H46O3 454.6844 454.344695338 10-hydroxy-1,2,6a,6b,9,9,12a-heptamethyl-3,4,4a,5,6,6a,6b,7,8,8a,9,10,11,12,12a,12b,13,14b-octadecahydropicene-4a-carboxylic acid 10-hydroxy-1,2,6a,6b,9,9,12a-heptamethyl-4,5,6,7,8,8a,10,11,12,12b,13,14b-dodecahydro-3H-picene-4a-carboxylic acid 6812-98-2 CC1=C(C)C2C3=CCC4C5(C)CCC(O)C(C)(C)C5CCC4(C)C3(C)CCC2(CC1)C(O)=O InChI=1S/C30H46O3/c1-18-10-15-30(25(32)33)17-16-28(6)20(24(30)19(18)2)8-9-22-27(5)13-12-23(31)26(3,4)21(27)11-14-29(22,28)7/h8,21-24,31H,9-17H2,1-7H3,(H,32,33) HKJOHXSLBNLQHF-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 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 6.41 ALOGPS logs -5.20 ALOGPS solubility 2.88e-03 g/l ALOGPS melting_point Mp 284.5-286° (in vacuo) logp 6.13 ChemAxon pka_strongest_acidic 4.71 ChemAxon pka_strongest_basic -0.84 ChemAxon iupac 10-hydroxy-1,2,6a,6b,9,9,12a-heptamethyl-3,4,4a,5,6,6a,6b,7,8,8a,9,10,11,12,12a,12b,13,14b-octadecahydropicene-4a-carboxylic acid ChemAxon average_mass 454.6844 ChemAxon mono_mass 454.344695338 ChemAxon smiles CC1=C(C)C2C3=CCC4C5(C)CCC(O)C(C)(C)C5CCC4(C)C3(C)CCC2(CC1)C(O)=O ChemAxon formula C30H46O3 ChemAxon inchi InChI=1S/C30H46O3/c1-18-10-15-30(25(32)33)17-16-28(6)20(24(30)19(18)2)8-9-22-27(5)13-12-23(31)26(3,4)21(27)11-14-29(22,28)7/h8,21-24,31H,9-17H2,1-7H3,(H,32,33) ChemAxon inchikey HKJOHXSLBNLQHF-UHFFFAOYSA-N ChemAxon polar_surface_area 57.53 ChemAxon refractivity 134.28 ChemAxon polarizability 54.18 ChemAxon rotatable_bond_count 1 ChemAxon acceptor_count 3 ChemAxon donor_count 2 ChemAxon physiological_charge -1 ChemAxon formal_charge 0 ChemAxon Specdb::CMs 18994 Specdb::CMs 44572 Specdb::CMs 132457 Specdb::CMs 140191 Specdb::MsMs 62688 Specdb::MsMs 62689 Specdb::MsMs 62690 Specdb::MsMs 119463 Specdb::MsMs 119464 Specdb::MsMs 119465 Specdb::MsMs 2778086 Specdb::MsMs 2778087 Specdb::MsMs 2778088 Specdb::MsMs 2901318 Specdb::MsMs 2901319 Specdb::MsMs 2901320 HMDB35808 #<Reference:0x000055ce322dc200> 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