1.0 2010-04-08 22:12:08 UTC 2019-11-26 03:12:27 UTC FDB015930 Urs-13(18)-en-3beta-yl acetate Isolated from mulberry bark. Urs-13(18)-en-3beta-yl acetate is found in fruits. 13(18)-Ursen-3beta-yl acetate 3beta-13(18)-Ursen-3-ol acetate 3beta-Acetoxy-13(18)-ursen-3-ol C32H52O2 468.7541 468.396730908 (6aR,6bS,8aR,11R,12S,14bR)-4,4,6a,6b,8a,11,12,14b-octamethyl-1,2,3,4,4a,5,6,6a,6b,7,8,8a,9,10,11,12,13,14,14a,14b-icosahydropicen-3-yl acetate (6aR,6bS,8aR,11R,12S,14bR)-4,4,6a,6b,8a,11,12,14b-octamethyl-2,3,4a,5,6,7,8,9,10,11,12,13,14,14a-tetradecahydro-1H-picen-3-yl acetate 90745-23-6 C[C@@H]1CC[C@]2(C)CC[C@]3(C)C(CCC4[C@@]5(C)CCC(OC(C)=O)C(C)(C)C5CC[C@@]34C)=C2[C@H]1C InChI=1S/C32H52O2/c1-20-12-15-29(6)18-19-31(8)23(27(29)21(20)2)10-11-25-30(7)16-14-26(34-22(3)33)28(4,5)24(30)13-17-32(25,31)9/h20-21,24-26H,10-19H2,1-9H3/t20-,21+,24?,25?,26?,29-,30+,31-,32-/m1/s1 IKRLOJLDFINHCU-QBXPSLMRSA-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 8.05 ALOGPS logs -6.73 ALOGPS solubility 8.70e-05 g/l ALOGPS melting_point Mp 208-210° logp 7.79 ChemAxon pka_strongest_basic -7 ChemAxon iupac (6aR,6bS,8aR,11R,12S,14bR)-4,4,6a,6b,8a,11,12,14b-octamethyl-1,2,3,4,4a,5,6,6a,6b,7,8,8a,9,10,11,12,13,14,14a,14b-icosahydropicen-3-yl acetate ChemAxon average_mass 468.7541 ChemAxon mono_mass 468.396730908 ChemAxon smiles C[C@@H]1CC[C@]2(C)CC[C@]3(C)C(CCC4[C@@]5(C)CCC(OC(C)=O)C(C)(C)C5CC[C@@]34C)=C2[C@H]1C ChemAxon formula C32H52O2 ChemAxon inchi InChI=1S/C32H52O2/c1-20-12-15-29(6)18-19-31(8)23(27(29)21(20)2)10-11-25-30(7)16-14-26(34-22(3)33)28(4,5)24(30)13-17-32(25,31)9/h20-21,24-26H,10-19H2,1-9H3/t20-,21+,24?,25?,26?,29-,30+,31-,32-/m1/s1 ChemAxon inchikey IKRLOJLDFINHCU-QBXPSLMRSA-N ChemAxon polar_surface_area 26.3 ChemAxon refractivity 140.87 ChemAxon polarizability 58.29 ChemAxon rotatable_bond_count 2 ChemAxon acceptor_count 1 ChemAxon donor_count 0 ChemAxon physiological_charge 0 ChemAxon formal_charge 0 ChemAxon Specdb::CMs 13674 Specdb::CMs 135050 Specdb::CMs 142784 Specdb::MsMs 75837 Specdb::MsMs 75838 Specdb::MsMs 75839 Specdb::MsMs 135549 Specdb::MsMs 135550 Specdb::MsMs 135551 Specdb::MsMs 2745524 Specdb::MsMs 2745525 Specdb::MsMs 2745526 Specdb::MsMs 2936371 Specdb::MsMs 2936372 Specdb::MsMs 2936373 HMDB36960 #<Reference:0x000055ce320b4270> Fruits Unknown generic