1.0 2010-04-08 22:11:29 UTC 2019-11-26 03:10:48 UTC FDB014823 Acetylursolic acid Isolated from various plants, e.g. Leptospermum scoparium (red tea). Acetylursolic acid is found in many foods, some of which are common verbena, rosemary, tea, and japanese persimmon. 3-(Acetyloxy)-(3beta)-urs-12-en-28-Oic acid 3-Acetylursolic acid 3beta-Acetylursolic acid Acetyl ursolic acid Acetylursolic acid Ursolic acid acetate Ursolic acid deriv. C32H50O4 498.737 498.370910088 10-(acetyloxy)-1,2,6a,6b,9,9,12a-heptamethyl-1,2,3,4,4a,5,6,6a,6b,7,8,8a,9,10,11,12,12a,12b,13,14b-icosahydropicene-4a-carboxylic acid 10-(acetyloxy)-1,2,6a,6b,9,9,12a-heptamethyl-2,3,4,5,6,7,8,8a,10,11,12,12b,13,14b-tetradecahydro-1H-picene-4a-carboxylic acid 7372-30-7 CC1CCC2(CCC3(C)C(=CCC4C5(C)CCC(OC(C)=O)C(C)(C)C5CCC34C)C2C1C)C(O)=O InChI=1S/C32H50O4/c1-19-11-16-32(27(34)35)18-17-30(7)22(26(32)20(19)2)9-10-24-29(6)14-13-25(36-21(3)33)28(4,5)23(29)12-15-31(24,30)8/h9,19-20,23-26H,10-18H2,1-8H3,(H,34,35) PHFUCJXOLZAQNH-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 acid esters Carboxylic acids Dicarboxylic acids and derivatives Hydrocarbon derivatives Organic oxides Aliphatic homopolycyclic compound Carbonyl group Carboxylic acid Carboxylic acid derivative Carboxylic acid ester Dicarboxylic acid or derivatives Hydrocarbon derivative Organic oxide Organic oxygen compound Organooxygen compound Triterpenoid logp 6.84 ALOGPS logs -6.50 ALOGPS solubility 1.56e-04 g/l ALOGPS melting_point Mp 285° logp 7.02 ChemAxon pka_strongest_acidic 4.74 ChemAxon pka_strongest_basic -7 ChemAxon iupac 10-(acetyloxy)-1,2,6a,6b,9,9,12a-heptamethyl-1,2,3,4,4a,5,6,6a,6b,7,8,8a,9,10,11,12,12a,12b,13,14b-icosahydropicene-4a-carboxylic acid ChemAxon average_mass 498.737 ChemAxon mono_mass 498.370910088 ChemAxon smiles CC1CCC2(CCC3(C)C(=CCC4C5(C)CCC(OC(C)=O)C(C)(C)C5CCC34C)C2C1C)C(O)=O ChemAxon formula C32H50O4 ChemAxon inchi InChI=1S/C32H50O4/c1-19-11-16-32(27(34)35)18-17-30(7)22(26(32)20(19)2)9-10-24-29(6)14-13-25(36-21(3)33)28(4,5)23(29)12-15-31(24,30)8/h9,19-20,23-26H,10-18H2,1-8H3,(H,34,35) ChemAxon inchikey PHFUCJXOLZAQNH-UHFFFAOYSA-N ChemAxon polar_surface_area 63.6 ChemAxon refractivity 142.85 ChemAxon polarizability 59.33 ChemAxon rotatable_bond_count 3 ChemAxon acceptor_count 3 ChemAxon donor_count 1 ChemAxon physiological_charge -1 ChemAxon formal_charge 0 ChemAxon Specdb::CMs 16754 Specdb::CMs 44684 Specdb::CMs 138025 Specdb::CMs 145759 Specdb::MsMs 12761 Specdb::MsMs 12762 Specdb::MsMs 12763 Specdb::MsMs 19433 Specdb::MsMs 19434 Specdb::MsMs 19435 Specdb::MsMs 2273991 Specdb::MsMs 2273992 Specdb::MsMs 2273993 Specdb::MsMs 3091448 Specdb::MsMs 3091449 Specdb::MsMs 3091450 HMDB36008 #<Reference:0x000055ce32548250> Black tea Type 1 Common sage Type 1 specific Salvia officinalis 38868 Common verbena Type 1 specific Verbena officinalis 79772 Green tea Type 1 Herbal tea Type 1 Japanese persimmon Type 1 specific Diospyros kaki 35925 Red tea Type 1 Rosemary Type 1 specific Rosmarinus officinalis 39367 1.1 1.1 1.1 mg/100 g Tea Type 1 specific Camellia sinensis 4442