1.0 2010-04-08 22:11:56 UTC 2019-11-26 03:11:53 UTC FDB015586 alpha-Amyrone Found in Sambucus nigra (elderberry) 12-Ursen-3-one a-Amyrenone a-Amyrone alpha-Amirenone Alpha-amyrenone Urs-12-en-3-one C30H48O 424.7015 424.370516158 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-one 4,4,6a,6b,8a,11,12,14b-octamethyl-1,2,4a,5,6,7,8,9,10,11,12,12a,14,14a-tetradecahydropicen-3-one 638-96-0 CC1CCC2(C)CCC3(C)C(=CCC4C5(C)CCC(=O)C(C)(C)C5CCC34C)C2C1C InChI=1S/C30H48O/c1-19-11-14-27(5)17-18-29(7)21(25(27)20(19)2)9-10-23-28(6)15-13-24(31)26(3,4)22(28)12-16-30(23,29)8/h9,19-20,22-23,25H,10-18H2,1-8H3 DIFWJJFSELKWGA-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 Cyclic ketones Hydrocarbon derivatives Organic oxides Aliphatic homopolycyclic compound Carbonyl group Cyclic ketone Hydrocarbon derivative Ketone Organic oxide Organic oxygen compound Organooxygen compound Triterpenoid logp 7.30 ALOGPS logs -7.08 ALOGPS solubility 3.50e-05 g/l ALOGPS melting_point Mp 125-126° logp 7.95 ChemAxon pka_strongest_acidic 19.96 ChemAxon pka_strongest_basic -7.5 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-one ChemAxon average_mass 424.7015 ChemAxon mono_mass 424.370516158 ChemAxon smiles CC1CCC2(C)CCC3(C)C(=CCC4C5(C)CCC(=O)C(C)(C)C5CCC34C)C2C1C ChemAxon formula C30H48O ChemAxon inchi InChI=1S/C30H48O/c1-19-11-14-27(5)17-18-29(7)21(25(27)20(19)2)9-10-23-28(6)15-13-24(31)26(3,4)22(28)12-16-30(23,29)8/h9,19-20,22-23,25H,10-18H2,1-8H3 ChemAxon inchikey DIFWJJFSELKWGA-UHFFFAOYSA-N ChemAxon polar_surface_area 17.07 ChemAxon refractivity 131.16 ChemAxon polarizability 53.26 ChemAxon rotatable_bond_count 0 ChemAxon acceptor_count 1 ChemAxon donor_count 0 ChemAxon physiological_charge 0 ChemAxon formal_charge 0 ChemAxon Specdb::CMs 11607 Specdb::CMs 130799 Specdb::CMs 138533 Specdb::MsMs 6731 Specdb::MsMs 6732 Specdb::MsMs 6733 Specdb::MsMs 7676 Specdb::MsMs 7677 Specdb::MsMs 7678 Specdb::MsMs 13403 Specdb::MsMs 13404 Specdb::MsMs 13405 Specdb::MsMs 14348 Specdb::MsMs 14349 Specdb::MsMs 14350 Specdb::MsMs 2840631 Specdb::MsMs 2840632 Specdb::MsMs 2840633 Specdb::MsMs 2864832 Specdb::MsMs 2864833 Specdb::MsMs 2864834 HMDB36659 #<Reference:0x000055ce2f9c2a18> Black elderberry Type 1 specific Sambucus nigra 4202 Fruits Unknown generic Rosemary Type 1 specific Rosmarinus officinalis 39367 3.0 3.0 3.0 mg/100 g Shea tree Type 1 specific Vitellaria paradoxa 292385