1.0 2010-04-08 22:13:35 UTC 2019-11-26 03:15:53 UTC FDB018228 Heliantriol F Constituent of Helianthus annuus (sunflower) and Calendula officinalis (pot marigold). Heliantriol F is found in sunflower and fats and oils. Heliantriol F C30H50O3 458.7162 458.375995466 11-(hydroxymethyl)-4,4,6a,6b,8a,12,14b-heptamethyl-1,2,3,4,4a,5,6,6a,6b,7,8,8a,9,12,12a,12b,13,14,14a,14b-icosahydropicene-3,8-diol 11-(hydroxymethyl)-4,4,6a,6b,8a,12,14b-heptamethyl-2,3,4a,5,6,7,8,9,12,12a,12b,13,14,14a-tetradecahydro-1H-picene-3,8-diol 71876-59-0 CC1C2C3CCC4C5(C)CCC(O)C(C)(C)C5CCC4(C)C3(C)CC(O)C2(C)CC=C1CO InChI=1S/C30H50O3/c1-18-19(17-31)10-13-28(5)24(33)16-30(7)20(25(18)28)8-9-22-27(4)14-12-23(32)26(2,3)21(27)11-15-29(22,30)6/h10,18,20-25,31-33H,8-9,11-17H2,1-7H3 IWSSUQMYGYYLOJ-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 12-hydroxysteroids Cyclic alcohols and derivatives Hydrocarbon derivatives Primary alcohols Secondary alcohols 12-hydroxysteroid Alcohol Aliphatic homopolycyclic compound Cyclic alcohol Hydrocarbon derivative Hydroxysteroid Organic oxygen compound Organooxygen compound Primary alcohol Secondary alcohol Steroid Triterpenoid logp 5.06 ALOGPS logs -5.11 ALOGPS solubility 3.56e-03 g/l ALOGPS melting_point Mp 190-193° (tri-Ac) logp 4.88 ChemAxon pka_strongest_acidic 17.15 ChemAxon pka_strongest_basic -0.21 ChemAxon iupac 11-(hydroxymethyl)-4,4,6a,6b,8a,12,14b-heptamethyl-1,2,3,4,4a,5,6,6a,6b,7,8,8a,9,12,12a,12b,13,14,14a,14b-icosahydropicene-3,8-diol ChemAxon average_mass 458.7162 ChemAxon mono_mass 458.375995466 ChemAxon smiles CC1C2C3CCC4C5(C)CCC(O)C(C)(C)C5CCC4(C)C3(C)CC(O)C2(C)CC=C1CO ChemAxon formula C30H50O3 ChemAxon inchi InChI=1S/C30H50O3/c1-18-19(17-31)10-13-28(5)24(33)16-30(7)20(25(18)28)8-9-22-27(4)14-12-23(32)26(2,3)21(27)11-15-29(22,30)6/h10,18,20-25,31-33H,8-9,11-17H2,1-7H3 ChemAxon inchikey IWSSUQMYGYYLOJ-UHFFFAOYSA-N ChemAxon polar_surface_area 60.69 ChemAxon refractivity 135.27 ChemAxon polarizability 56.04 ChemAxon rotatable_bond_count 1 ChemAxon acceptor_count 3 ChemAxon donor_count 3 ChemAxon physiological_charge 0 ChemAxon formal_charge 0 ChemAxon Specdb::CMs 23142 Specdb::CMs 46068 Specdb::CMs 172547 Specdb::MsMs 52689 Specdb::MsMs 52690 Specdb::MsMs 52691 Specdb::MsMs 146619 Specdb::MsMs 146620 Specdb::MsMs 146621 Specdb::MsMs 2393563 Specdb::MsMs 2393564 Specdb::MsMs 2393565 Specdb::MsMs 2572523 Specdb::MsMs 2572524 Specdb::MsMs 2572525 HMDB38803 #<Reference:0x000055ce30b5de08> Fats and oils Unknown generic Sunflower Type 1 specific Helianthus annuus 4232 0.5 0.5 0.5 mg/100 g