1.0 2010-04-08 22:12:11 UTC 2019-11-26 03:12:37 UTC FDB016014 28-Hydroxy-14-taraxeren-3-one Isolated from Myrica rubra (Chinese bayberry). 28-Hydroxy-14-taraxeren-3-one is found in fruits. 28-Hydroxy-14-taraxeren-3-one Miricolone C30H48O2 440.7009 440.36543078 8a-(hydroxymethyl)-4,4,6a,11,11,12b,14b-heptamethyl-1,2,3,4,4a,5,6,6a,8,8a,9,10,11,12,12a,12b,13,14,14a,14b-icosahydropicen-3-one 8a-(hydroxymethyl)-4,4,6a,11,11,12b,14b-heptamethyl-2,4a,5,6,8,9,10,12,12a,13,14,14a-dodecahydro-1H-picen-3-one 88717-97-9 CC1(C)CCC2(CO)CC=C3C4(C)CCC5C(C)(C)C(=O)CCC5(C)C4CCC3(C)C2C1 InChI=1S/C30H48O2/c1-25(2)16-17-30(19-31)15-10-22-28(6)12-8-20-26(3,4)24(32)11-14-27(20,5)21(28)9-13-29(22,7)23(30)18-25/h10,20-21,23,31H,8-9,11-19H2,1-7H3 YZWJBLKYECYVAO-UHFFFAOYSA-N belongs to the class of organic compounds known as scalarane sesterterpenoids. These are sesterterpenoids with a structure based on the scalarane backbone. Scalarane is a tetracyclic compound, which is similar the homoandrostane with five methyl groups at the 4-, 4-, 8-, 17-, 17a-positions. Scalarane sesterterpenoids Organic compounds Lipids and lipid-like molecules Prenol lipids Sesterterpenoids Aliphatic homopolycyclic compounds Cyclic ketones Hydrocarbon derivatives Organic oxides Primary alcohols Alcohol Aliphatic homopolycyclic compound Carbonyl group Cyclic ketone Hydrocarbon derivative Ketone Organic oxide Organic oxygen compound Organooxygen compound Primary alcohol Scalarane sesterterpenoid logp 6.41 ALOGPS logs -6.23 ALOGPS solubility 2.59e-04 g/l ALOGPS melting_point Mp 225-227° (202-204°) logp 6.69 ChemAxon pka_strongest_acidic 18.95 ChemAxon pka_strongest_basic -1.1 ChemAxon iupac 8a-(hydroxymethyl)-4,4,6a,11,11,12b,14b-heptamethyl-1,2,3,4,4a,5,6,6a,8,8a,9,10,11,12,12a,12b,13,14,14a,14b-icosahydropicen-3-one ChemAxon average_mass 440.7009 ChemAxon mono_mass 440.36543078 ChemAxon smiles CC1(C)CCC2(CO)CC=C3C4(C)CCC5C(C)(C)C(=O)CCC5(C)C4CCC3(C)C2C1 ChemAxon formula C30H48O2 ChemAxon inchi InChI=1S/C30H48O2/c1-25(2)16-17-30(19-31)15-10-22-28(6)12-8-20-26(3,4)24(32)11-14-27(20,5)21(28)9-13-29(22,7)23(30)18-25/h10,20-21,23,31H,8-9,11-19H2,1-7H3 ChemAxon inchikey YZWJBLKYECYVAO-UHFFFAOYSA-N ChemAxon polar_surface_area 37.3 ChemAxon refractivity 132.86 ChemAxon polarizability 54.43 ChemAxon rotatable_bond_count 1 ChemAxon acceptor_count 2 ChemAxon donor_count 1 ChemAxon physiological_charge 0 ChemAxon formal_charge 0 ChemAxon Specdb::MsMs 12563 Specdb::MsMs 12564 Specdb::MsMs 12565 Specdb::MsMs 19235 Specdb::MsMs 19236 Specdb::MsMs 19237 Specdb::MsMs 2378940 Specdb::MsMs 2378941 Specdb::MsMs 2378942 Specdb::MsMs 2556498 Specdb::MsMs 2556499 Specdb::MsMs 2556500 Specdb::CMs 18245 Specdb::CMs 45189 Specdb::CMs 130725 Specdb::CMs 138459 HMDB37033 #<Reference:0x000055ce326a8ac8> Fruits Unknown generic