1.0 2010-04-08 22:11:51 UTC 2019-11-26 03:11:35 UTC FDB015442 Heliantriol A1 Isolated from flowers of Helianthus annuus (sunflower) and Calendula officinalis (pot marigold). Heliantriol A1 is found in fats and oils. Coflotriol Heliantriol A1 C30H50O3 458.7162 458.375995466 8a-(hydroxymethyl)-4,4,6a,6b,11,11,14b-heptamethyl-1,2,3,4,4a,5,6,6a,6b,7,8,8a,9,10,11,12,13,14,14a,14b-icosahydropicene-3,8-diol 8a-(hydroxymethyl)-4,4,6a,6b,11,11,14b-heptamethyl-1,2,3,4a,5,6,7,8,9,10,12,13,14,14a-tetradecahydropicene-3,8-diol 26540-64-7 CC1(C)CCC2(CO)C(O)CC3(C)C(CCC4C5(C)CCC(O)C(C)(C)C5CCC34C)=C2C1 InChI=1S/C30H50O3/c1-25(2)14-15-30(18-31)20(16-25)19-8-9-22-27(5)12-11-23(32)26(3,4)21(27)10-13-28(22,6)29(19,7)17-24(30)33/h21-24,31-33H,8-18H2,1-7H3 IHSVJVUGVFXDPE-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 alcohols and derivatives Hydrocarbon derivatives Primary alcohols Secondary alcohols Alcohol Aliphatic homopolycyclic compound Cyclic alcohol Hydrocarbon derivative Organic oxygen compound Organooxygen compound Primary alcohol Secondary alcohol Triterpenoid logp 5.24 ALOGPS logs -4.90 ALOGPS solubility 5.84e-03 g/l ALOGPS melting_point Mp 279-281° logp 4.85 ChemAxon pka_strongest_acidic 14.41 ChemAxon pka_strongest_basic -0.84 ChemAxon iupac 8a-(hydroxymethyl)-4,4,6a,6b,11,11,14b-heptamethyl-1,2,3,4,4a,5,6,6a,6b,7,8,8a,9,10,11,12,13,14,14a,14b-icosahydropicene-3,8-diol ChemAxon average_mass 458.7162 ChemAxon mono_mass 458.375995466 ChemAxon smiles CC1(C)CCC2(CO)C(O)CC3(C)C(CCC4C5(C)CCC(O)C(C)(C)C5CCC34C)=C2C1 ChemAxon formula C30H50O3 ChemAxon inchi InChI=1S/C30H50O3/c1-25(2)14-15-30(18-31)20(16-25)19-8-9-22-27(5)12-11-23(32)26(3,4)21(27)10-13-28(22,6)29(19,7)17-24(30)33/h21-24,31-33H,8-18H2,1-7H3 ChemAxon inchikey IHSVJVUGVFXDPE-UHFFFAOYSA-N ChemAxon polar_surface_area 60.69 ChemAxon refractivity 134.93 ChemAxon polarizability 55.37 ChemAxon rotatable_bond_count 1 ChemAxon acceptor_count 3 ChemAxon donor_count 3 ChemAxon physiological_charge 0 ChemAxon formal_charge 0 ChemAxon Specdb::CMs 18052 Specdb::CMs 44896 Specdb::CMs 133648 Specdb::CMs 141382 Specdb::CMs 157533 Specdb::CMs 157535 Specdb::CMs 157537 Specdb::CMs 280174 Specdb::MsMs 53505 Specdb::MsMs 53506 Specdb::MsMs 53507 Specdb::MsMs 138939 Specdb::MsMs 138940 Specdb::MsMs 138941 Specdb::MsMs 2438530 Specdb::MsMs 2438531 Specdb::MsMs 2438532 Specdb::MsMs 2523744 Specdb::MsMs 2523745 Specdb::MsMs 2523746 HMDB36540 #<Reference:0x000055ce3055b000> Fats and oils Unknown generic