1.0 2010-04-08 22:11:07 UTC 2018-05-29 01:10:07 UTC FDB014181 Triptohypol F Constituent of Myroxylon balsamum (Tolu balsam) 11-Methoxy-12-oleanen-3-ol Triptohypol F C31H52O2 456.7434 456.396730908 14-methoxy-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-icosahydropicen-3-ol 14-methoxy-4,4,6a,6b,8a,11,11,14b-octamethyl-1,2,3,4a,5,6,7,8,9,10,12,12a,14,14a-tetradecahydropicen-3-ol 268541-26-0 COC1C=C2C3CC(C)(C)CCC3(C)CCC2(C)C2(C)CCC3C(C)(C)C(O)CCC3(C)C12 InChI=1S/C31H52O2/c1-26(2)14-15-28(5)16-17-30(7)20(21(28)19-26)18-22(33-9)25-29(6)12-11-24(32)27(3,4)23(29)10-13-31(25,30)8/h18,21-25,32H,10-17,19H2,1-9H3 VKGXBRHZFJRMOC-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 Dialkyl ethers Hydrocarbon derivatives Secondary alcohols Alcohol Aliphatic homopolycyclic compound Cyclic alcohol Dialkyl ether Ether Hydrocarbon derivative Organic oxygen compound Organooxygen compound Secondary alcohol Triterpenoid logp 6.70 ALOGPS logs -6.72 ALOGPS solubility 8.71e-05 g/l ALOGPS melting_point Mp 172-173° logp 6.89 ChemAxon pka_strongest_acidic 19.49 ChemAxon pka_strongest_basic -0.83 ChemAxon iupac 14-methoxy-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-icosahydropicen-3-ol ChemAxon average_mass 456.7434 ChemAxon mono_mass 456.396730908 ChemAxon smiles COC1C=C2C3CC(C)(C)CCC3(C)CCC2(C)C2(C)CCC3C(C)(C)C(O)CCC3(C)C12 ChemAxon formula C31H52O2 ChemAxon inchi InChI=1S/C31H52O2/c1-26(2)14-15-28(5)16-17-30(7)20(21(28)19-26)18-22(33-9)25-29(6)12-11-24(32)27(3,4)23(29)10-13-31(25,30)8/h18,21-25,32H,10-17,19H2,1-9H3 ChemAxon inchikey VKGXBRHZFJRMOC-UHFFFAOYSA-N ChemAxon polar_surface_area 29.46 ChemAxon refractivity 138.1 ChemAxon polarizability 56.89 ChemAxon rotatable_bond_count 1 ChemAxon acceptor_count 2 ChemAxon donor_count 1 ChemAxon physiological_charge 0 ChemAxon formal_charge 0 ChemAxon Specdb::CMs 20992 Specdb::CMs 44413 Specdb::CMs 147874 Specdb::MsMs 78942 Specdb::MsMs 78943 Specdb::MsMs 78944 Specdb::MsMs 139431 Specdb::MsMs 139432 Specdb::MsMs 139433 Specdb::MsMs 3048965 Specdb::MsMs 3048966 Specdb::MsMs 3048967 Specdb::MsMs 3118942 Specdb::MsMs 3118943 Specdb::MsMs 3118944 HMDB35495 #<Reference:0x000055ce3214bb98>