1.0 2010-04-08 22:11:56 UTC 2019-11-26 03:11:53 UTC FDB015584 alpha-Amyrin acetate Constituent of Artemisia vulgaris (mugwort). alpha-Amyrin acetate is found in mugwort. -Amyrenyl acetate &alpha;-amyrenyl acetate &alpha;-amyrin acetate Acetate(3beta)-urs-12-en-3-ol alpha-Amyrin acetate Amyrin acetate Urs-12-en-3-ol, acetate, (3&beta;)- Urs-12-en-3&beta;-ol, acetate Urs-12-en-3beta-ol, acetate C32H52O2 468.7541 468.396730908 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 4,4,6a,6b,8a,11,12,14b-octamethyl-2,3,4a,5,6,7,8,9,10,11,12,12a,14,14a-tetradecahydro-1H-picen-3-yl acetate 863-76-3 CC1CCC2(C)CCC3(C)C(=CCC4C5(C)CCC(OC(C)=O)C(C)(C)C5CCC34C)C2C1C 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/h10,20-21,24-27H,11-19H2,1-9H3 UDXDFWBZZQHDRO-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 7.61 ALOGPS logs -7.32 ALOGPS solubility 2.26e-05 g/l ALOGPS melting_point Mp 225-226° logp 7.83 ChemAxon pka_strongest_basic -7 ChemAxon iupac 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 468.7541 ChemAxon mono_mass 468.396730908 ChemAxon smiles CC1CCC2(C)CCC3(C)C(=CCC4C5(C)CCC(OC(C)=O)C(C)(C)C5CCC34C)C2C1C 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/h10,20-21,24-27H,11-19H2,1-9H3 ChemAxon inchikey UDXDFWBZZQHDRO-UHFFFAOYSA-N ChemAxon polar_surface_area 26.3 ChemAxon refractivity 141.13 ChemAxon polarizability 58.51 ChemAxon rotatable_bond_count 2 ChemAxon acceptor_count 1 ChemAxon donor_count 0 ChemAxon physiological_charge 0 ChemAxon formal_charge 0 ChemAxon Specdb::CMs 25576 Specdb::CMs 148039 Specdb::MsMs 6740 Specdb::MsMs 6741 Specdb::MsMs 6742 Specdb::MsMs 12125 Specdb::MsMs 12126 Specdb::MsMs 12127 Specdb::MsMs 13412 Specdb::MsMs 13413 Specdb::MsMs 13414 Specdb::MsMs 18797 Specdb::MsMs 18798 Specdb::MsMs 18799 Specdb::MsMs 2349062 Specdb::MsMs 2349063 Specdb::MsMs 2349064 Specdb::MsMs 2586607 Specdb::MsMs 2586608 Specdb::MsMs 2586609 HMDB36658 #<Reference:0x000055ce31f98698> Mugwort Type 1 specific Artemisia vulgaris 4220