1.0 2010-04-08 22:11:45 UTC 2019-11-26 03:11:22 UTC FDB015283 3beta-Acetoxy-19alpha-hydroxy-12-ursene Constituent of Pyrus communis (pear). 3beta-Acetoxy-19alpha-hydroxy-12-ursene is found in pomes. 12-Ursene-3beta-acetoxy-19alpha-ol 3beta-Acetoxy-19alpha-hydroxy-12-ursene C32H52O3 484.7535 484.39164553 12-hydroxy-4,4,6a,6b,8a,11,12,14b-octamethyl-1,2,3,4,4a,5,6,6a,6b,7,8,8a,9,10,11,12,12a,14,14a,14b-icosahydropicen-3-yl acetate 12-hydroxy-4,4,6a,6b,8a,11,12,14b-octamethyl-1,2,3,4a,5,6,7,8,9,10,11,12a,14,14a-tetradecahydropicen-3-yl acetate 273223-68-0 CC1CCC2(C)CCC3(C)C(=CCC4C5(C)CCC(OC(C)=O)C(C)(C)C5CCC34C)C2C1(C)O InChI=1S/C32H52O3/c1-20-12-15-28(5)18-19-30(7)22(26(28)32(20,9)34)10-11-24-29(6)16-14-25(35-21(2)33)27(3,4)23(29)13-17-31(24,30)8/h10,20,23-26,34H,11-19H2,1-9H3 MAVZHIDFSWDHNP-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 Cyclic alcohols and derivatives Hydrocarbon derivatives Monocarboxylic acids and derivatives Organic oxides Tertiary alcohols Alcohol Aliphatic homopolycyclic compound Carbonyl group Carboxylic acid derivative Carboxylic acid ester Cyclic alcohol Hydrocarbon derivative Monocarboxylic acid or derivatives Organic oxide Organic oxygen compound Organooxygen compound Tertiary alcohol Triterpenoid logp 7.30 ALOGPS logs -6.67 ALOGPS solubility 1.03e-04 g/l ALOGPS logp 6.59 ChemAxon pka_strongest_basic -0.12 ChemAxon iupac 12-hydroxy-4,4,6a,6b,8a,11,12,14b-octamethyl-1,2,3,4,4a,5,6,6a,6b,7,8,8a,9,10,11,12,12a,14,14a,14b-icosahydropicen-3-yl acetate ChemAxon average_mass 484.7535 ChemAxon mono_mass 484.39164553 ChemAxon smiles CC1CCC2(C)CCC3(C)C(=CCC4C5(C)CCC(OC(C)=O)C(C)(C)C5CCC34C)C2C1(C)O ChemAxon formula C32H52O3 ChemAxon inchi InChI=1S/C32H52O3/c1-20-12-15-28(5)18-19-30(7)22(26(28)32(20,9)34)10-11-24-29(6)16-14-25(35-21(2)33)27(3,4)23(29)13-17-31(24,30)8/h10,20,23-26,34H,11-19H2,1-9H3 ChemAxon inchikey MAVZHIDFSWDHNP-UHFFFAOYSA-N ChemAxon polar_surface_area 46.53 ChemAxon refractivity 142.74 ChemAxon polarizability 59.11 ChemAxon rotatable_bond_count 2 ChemAxon acceptor_count 2 ChemAxon donor_count 1 ChemAxon physiological_charge 0 ChemAxon formal_charge 0 ChemAxon Specdb::CMs 24207 Specdb::CMs 44856 Specdb::CMs 131563 Specdb::CMs 139297 Specdb::MsMs 10673 Specdb::MsMs 10674 Specdb::MsMs 10675 Specdb::MsMs 17345 Specdb::MsMs 17346 Specdb::MsMs 17347 Specdb::MsMs 2271219 Specdb::MsMs 2271220 Specdb::MsMs 2271221 Specdb::MsMs 3066986 Specdb::MsMs 3066987 Specdb::MsMs 3066988 HMDB36404 #<Reference:0x000055ce320c0890> Pomes Unknown generic