1.0 2010-04-08 22:10:30 UTC 2025-11-18 23:40:58 UTC FDB013056 Maniladiol Constituent of Calendula officinalis (pot marigold). Maniladiol is found in sunflower. 3beta,16beta-Dihydroxyolean-12-ene Maniladiol Olean-12-ene-3,16-diol, (3beta,16beta)- C30H50O2 442.7168 442.381080844 4,4,6a,6b,8a,11,11,14b-octamethyl-1,2,3,4,4a,5,6,6a,6b,7,8,8a,9,10,11,12,12a,14,14a,14b-icosahydropicene-3,8-diol 4,4,6a,6b,8a,11,11,14b-octamethyl-1,2,3,4a,5,6,7,8,9,10,12,12a,14,14a-tetradecahydropicene-3,8-diol 595-17-5 CC1(C)CCC2(C)C(O)CC3(C)C(=CCC4C5(C)CCC(O)C(C)(C)C5CCC34C)C2C1 InChI=1S/C30H50O2/c1-25(2)15-16-27(5)20(17-25)19-9-10-22-28(6)13-12-23(31)26(3,4)21(28)11-14-29(22,7)30(19,8)18-24(27)32/h9,20-24,31-32H,10-18H2,1-8H3 VLRYIIPJIVGFIV-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 Secondary alcohols Alcohol Aliphatic homopolycyclic compound Cyclic alcohol Hydrocarbon derivative Organic oxygen compound Organooxygen compound Secondary alcohol Triterpenoid logp 6.61 ALOGPS logs -5.84 ALOGPS solubility 6.43e-04 g/l ALOGPS melting_point Mp 220-221° logp 6.17 ChemAxon pka_strongest_acidic 19.49 ChemAxon pka_strongest_basic -0.24 ChemAxon iupac 4,4,6a,6b,8a,11,11,14b-octamethyl-1,2,3,4,4a,5,6,6a,6b,7,8,8a,9,10,11,12,12a,14,14a,14b-icosahydropicene-3,8-diol ChemAxon average_mass 442.7168 ChemAxon mono_mass 442.381080844 ChemAxon smiles CC1(C)CCC2(C)C(O)CC3(C)C(=CCC4C5(C)CCC(O)C(C)(C)C5CCC34C)C2C1 ChemAxon formula C30H50O2 ChemAxon inchi InChI=1S/C30H50O2/c1-25(2)15-16-27(5)20(17-25)19-9-10-22-28(6)13-12-23(31)26(3,4)21(28)11-14-29(22,7)30(19,8)18-24(27)32/h9,20-24,31-32H,10-18H2,1-8H3 ChemAxon inchikey VLRYIIPJIVGFIV-UHFFFAOYSA-N ChemAxon polar_surface_area 40.46 ChemAxon refractivity 133.42 ChemAxon polarizability 55.26 ChemAxon rotatable_bond_count 0 ChemAxon acceptor_count 2 ChemAxon donor_count 2 ChemAxon physiological_charge 0 ChemAxon formal_charge 0 ChemAxon Specdb::CMs 14677 Specdb::CMs 43920 Specdb::CMs 154909 Specdb::MsMs 8444 Specdb::MsMs 8445 Specdb::MsMs 8446 Specdb::MsMs 15116 Specdb::MsMs 15117 Specdb::MsMs 15118 Specdb::MsMs 2396940 Specdb::MsMs 2396941 Specdb::MsMs 2396942 Specdb::MsMs 2542283 Specdb::MsMs 2542284 Specdb::MsMs 2542285 HMDB0034550 Sunflower Type 1 specific Helianthus annuus 4232