1.0 2010-04-08 22:12:12 UTC 2019-11-26 03:12:39 UTC FDB016037 (3alpha,16alpha)-13(18)-Oleanene-3,16-diol Constituent of Canarium album (Chinese white olive). (3alpha,16alpha)-13(18)-Oleanene-3,16-diol is found in fruits. (3b,16b)-Olean-13(18)-ene-3,16-diol C30H50O2 442.7168 442.381080844 (3R,6aR,6bS,8R,8aS,14bR)-4,4,6a,6b,8a,11,11,14b-octamethyl-1,2,3,4,4a,5,6,6a,6b,7,8,8a,9,10,11,12,13,14,14a,14b-icosahydropicene-3,8-diol (3R,6aR,6bS,8R,8aS,14bR)-4,4,6a,6b,8a,11,11,14b-octamethyl-1,2,3,4a,5,6,7,8,9,10,12,13,14,14a-tetradecahydropicene-3,8-diol 37384-13-7 CC1(C)CC[C@]2(C)[C@H](O)C[C@]3(C)C(CCC4[C@@]5(C)CC[C@@H](O)C(C)(C)C5CC[C@@]34C)=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/h21-24,31-32H,9-18H2,1-8H3/t21?,22?,23-,24-,27+,28+,29-,30-/m1/s1 RTLXJEJRLWILSU-UXDAAGEOSA-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 6.33 ALOGPS logs -5.24 ALOGPS solubility 2.53e-03 g/l ALOGPS melting_point Mp 290-292° logp 6.13 ChemAxon pka_strongest_acidic 19.49 ChemAxon pka_strongest_basic -0.3 ChemAxon iupac (3R,6aR,6bS,8R,8aS,14bR)-4,4,6a,6b,8a,11,11,14b-octamethyl-1,2,3,4,4a,5,6,6a,6b,7,8,8a,9,10,11,12,13,14,14a,14b-icosahydropicene-3,8-diol ChemAxon average_mass 442.7168 ChemAxon mono_mass 442.381080844 ChemAxon smiles CC1(C)CC[C@]2(C)[C@H](O)C[C@]3(C)C(CCC4[C@@]5(C)CC[C@@H](O)C(C)(C)C5CC[C@@]34C)=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/h21-24,31-32H,9-18H2,1-8H3/t21?,22?,23-,24-,27+,28+,29-,30-/m1/s1 ChemAxon inchikey RTLXJEJRLWILSU-UXDAAGEOSA-N ChemAxon polar_surface_area 40.46 ChemAxon refractivity 133.16 ChemAxon polarizability 54.64 ChemAxon rotatable_bond_count 0 ChemAxon acceptor_count 2 ChemAxon donor_count 2 ChemAxon physiological_charge 0 ChemAxon formal_charge 0 ChemAxon Specdb::CMs 21797 Specdb::CMs 43979 Specdb::CMs 174272 Specdb::MsMs 42735 Specdb::MsMs 42736 Specdb::MsMs 42737 Specdb::MsMs 118149 Specdb::MsMs 118150 Specdb::MsMs 118151 Specdb::MsMs 2288964 Specdb::MsMs 2288965 Specdb::MsMs 2288966 Specdb::MsMs 2649858 Specdb::MsMs 2649859 Specdb::MsMs 2649860 HMDB34664 #<Reference:0x000055ce30744ee8> Fruits Unknown generic