1.0 2010-04-08 22:14:55 UTC 2019-11-26 03:18:43 UTC FDB020282 Bauerenyl acetate Constituent of the famine food Adansonia digitata (baobab). Bauerenyl acetate is found in fruits. 7-Baueren-3-yl acetate Bauerenyl acetate C32H52O2 468.7541 468.396730908 4,4,6b,8a,11,12,12b,14b-octamethyl-1,2,3,4,4a,5,6b,7,8,8a,9,10,11,12,12a,12b,13,14,14a,14b-icosahydropicen-3-yl acetate 4,4,6b,8a,11,12,12b,14b-octamethyl-2,3,4a,5,7,8,9,10,11,12,12a,13,14,14a-tetradecahydro-1H-picen-3-yl acetate 17020-04-1 CC1CCC2(C)CCC3(C)C4=CCC5C(C)(C)C(CCC5(C)C4CCC3(C)C2C1C)OC(C)=O InChI=1S/C32H52O2/c1-20-12-15-29(6)18-19-31(8)24-10-11-25-28(4,5)26(34-22(3)33)14-16-30(25,7)23(24)13-17-32(31,9)27(29)21(20)2/h10,20-21,23,25-27H,11-19H2,1-9H3 DTHUXXMWYWKQKX-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 Hydrocarbon derivatives Monocarboxylic acids and derivatives Organic oxides Aliphatic homopolycyclic compound Carbonyl group Carboxylic acid derivative Carboxylic acid ester Hydrocarbon derivative Monocarboxylic acid or derivatives Organic oxide Organic oxygen compound Organooxygen compound Triterpenoid logp 7.55 ALOGPS logs -7.33 ALOGPS solubility 2.20e-05 g/l ALOGPS melting_point Mp 290-292° logp 7.83 ChemAxon pka_strongest_basic -7 ChemAxon iupac 4,4,6b,8a,11,12,12b,14b-octamethyl-1,2,3,4,4a,5,6b,7,8,8a,9,10,11,12,12a,12b,13,14,14a,14b-icosahydropicen-3-yl acetate ChemAxon average_mass 468.7541 ChemAxon mono_mass 468.396730908 ChemAxon smiles CC1CCC2(C)CCC3(C)C4=CCC5C(C)(C)C(CCC5(C)C4CCC3(C)C2C1C)OC(C)=O ChemAxon formula C32H52O2 ChemAxon inchi InChI=1S/C32H52O2/c1-20-12-15-29(6)18-19-31(8)24-10-11-25-28(4,5)26(34-22(3)33)14-16-30(25,7)23(24)13-17-32(31,9)27(29)21(20)2/h10,20-21,23,25-27H,11-19H2,1-9H3 ChemAxon inchikey DTHUXXMWYWKQKX-UHFFFAOYSA-N ChemAxon polar_surface_area 26.3 ChemAxon refractivity 141.13 ChemAxon polarizability 58.52 ChemAxon rotatable_bond_count 2 ChemAxon acceptor_count 1 ChemAxon donor_count 0 ChemAxon physiological_charge 0 ChemAxon formal_charge 0 ChemAxon Specdb::CMs 21045 Specdb::CMs 152604 Specdb::MsMs 8987 Specdb::MsMs 8988 Specdb::MsMs 8989 Specdb::MsMs 15659 Specdb::MsMs 15660 Specdb::MsMs 15661 Specdb::MsMs 2362190 Specdb::MsMs 2362191 Specdb::MsMs 2362192 Specdb::MsMs 2600171 Specdb::MsMs 2600172 Specdb::MsMs 2600173 HMDB40516 #<Reference:0x000055ce32d33cd0> Fruits Unknown generic