1.0 2010-04-08 22:10:35 UTC 2018-05-29 01:03:52 UTC FDB013214 Myricadiol Constituent of Lithocarpus cornea, Myrica subspecies, Scaevola frutescens and others [CCD] (3beta)-D-Friedoolean-14-ene-3,28-diol D-Friedoolean-14-ene-3,28-diol, (3beta)- Myricadiol Myricardiol C30H50O2 442.7168 442.381080844 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-ol 8a-(hydroxymethyl)-4,4,6a,11,11,12b,14b-heptamethyl-1,2,3,4a,5,6,8,9,10,12,12a,13,14,14a-tetradecahydropicen-3-ol 17884-88-7 CC1(C)CCC2(CO)CC=C3C4(C)CCC5C(C)(C)C(O)CCC5(C)C4CCC3(C)C2C1 InChI=1S/C30H50O2/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/h10,20-21,23-24,31-32H,8-9,11-19H2,1-7H3 RJAKLUPHSBOQNU-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 alcohols and derivatives Hydrocarbon derivatives Primary alcohols Secondary alcohols Alcohol Aliphatic homopolycyclic compound Cyclic alcohol Hydrocarbon derivative Organic oxygen compound Organooxygen compound Primary alcohol Scalarane sesterterpenoid Secondary alcohol logp 6.55 ALOGPS logs -6.08 ALOGPS solubility 3.69e-04 g/l ALOGPS melting_point Mp 271-273° logp 6.12 ChemAxon pka_strongest_acidic 18.95 ChemAxon pka_strongest_basic -0.64 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-ol ChemAxon average_mass 442.7168 ChemAxon mono_mass 442.381080844 ChemAxon smiles CC1(C)CCC2(CO)CC=C3C4(C)CCC5C(C)(C)C(O)CCC5(C)C4CCC3(C)C2C1 ChemAxon formula C30H50O2 ChemAxon inchi InChI=1S/C30H50O2/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/h10,20-21,23-24,31-32H,8-9,11-19H2,1-7H3 ChemAxon inchikey RJAKLUPHSBOQNU-UHFFFAOYSA-N ChemAxon polar_surface_area 40.46 ChemAxon refractivity 133.68 ChemAxon polarizability 55.19 ChemAxon rotatable_bond_count 1 ChemAxon acceptor_count 2 ChemAxon donor_count 2 ChemAxon physiological_charge 0 ChemAxon formal_charge 0 ChemAxon Specdb::CMs 11178 Specdb::CMs 43996 Specdb::CMs 167636 Specdb::MsMs 9824 Specdb::MsMs 9825 Specdb::MsMs 9826 Specdb::MsMs 16496 Specdb::MsMs 16497 Specdb::MsMs 16498 Specdb::MsMs 2438431 Specdb::MsMs 2438432 Specdb::MsMs 2438433 Specdb::MsMs 2523399 Specdb::MsMs 2523400 Specdb::MsMs 2523401 HMDB34685 #<Reference:0x000055ce2eec3db0> Mineral-corticoid 1105