1.0 2010-04-08 22:09:32 UTC 2019-11-26 03:04:43 UTC FDB011247 (3beta,16alpha)-7-Baurene-3,16-diol Constituent of Tussilago farfara (coltsfoot). (3beta,16alpha)-7-Baurene-3,16-diol is found in tea. Bauer-7-ene-3beta,16alpha-diol C30H50O2 442.7168 442.381080844 4,4,6b,8a,11,12,12b,14b-octamethyl-1,2,3,4,4a,5,6b,7,8,8a,9,10,11,12,12a,12b,13,14,14a,14b-icosahydropicene-3,8-diol 4,4,6b,8a,11,12,12b,14b-octamethyl-2,3,4a,5,7,8,9,10,11,12,12a,13,14,14a-tetradecahydro-1H-picene-3,8-diol 214351-30-1 CC1CCC2(C)C(O)CC3(C)C4=CCC5C(C)(C)C(O)CCC5(C)C4CCC3(C)C2C1C InChI=1S/C30H50O2/c1-18-11-14-28(6)24(32)17-30(8)21-9-10-22-26(3,4)23(31)13-15-27(22,5)20(21)12-16-29(30,7)25(28)19(18)2/h9,18-20,22-25,31-32H,10-17H2,1-8H3 RSBGODIKJNCIHA-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 Secondary alcohols 12-hydroxysteroid Alcohol Aliphatic homopolycyclic compound Cyclic alcohol Hydrocarbon derivative Hydroxysteroid Organic oxygen compound Organooxygen compound Secondary alcohol Steroid Triterpenoid logp 6.06 ALOGPS logs -5.91 ALOGPS solubility 5.45e-04 g/l ALOGPS melting_point Mp 282-285° logp 6.16 ChemAxon pka_strongest_acidic 19.55 ChemAxon pka_strongest_basic -0.21 ChemAxon iupac 4,4,6b,8a,11,12,12b,14b-octamethyl-1,2,3,4,4a,5,6b,7,8,8a,9,10,11,12,12a,12b,13,14,14a,14b-icosahydropicene-3,8-diol ChemAxon average_mass 442.7168 ChemAxon mono_mass 442.381080844 ChemAxon smiles CC1CCC2(C)C(O)CC3(C)C4=CCC5C(C)(C)C(O)CCC5(C)C4CCC3(C)C2C1C ChemAxon formula C30H50O2 ChemAxon inchi InChI=1S/C30H50O2/c1-18-11-14-28(6)24(32)17-30(8)21-9-10-22-26(3,4)23(31)13-15-27(22,5)20(21)12-16-29(30,7)25(28)19(18)2/h9,18-20,22-25,31-32H,10-17H2,1-8H3 ChemAxon inchikey RSBGODIKJNCIHA-UHFFFAOYSA-N ChemAxon polar_surface_area 40.46 ChemAxon refractivity 133.5 ChemAxon polarizability 54.97 ChemAxon rotatable_bond_count 0 ChemAxon acceptor_count 2 ChemAxon donor_count 2 ChemAxon physiological_charge 0 ChemAxon formal_charge 0 ChemAxon Specdb::CMs 14660 Specdb::CMs 43162 Specdb::CMs 173959 Specdb::MsMs 11105 Specdb::MsMs 11106 Specdb::MsMs 11107 Specdb::MsMs 17777 Specdb::MsMs 17778 Specdb::MsMs 17779 Specdb::MsMs 2316425 Specdb::MsMs 2316426 Specdb::MsMs 2316427 Specdb::MsMs 2621780 Specdb::MsMs 2621781 Specdb::MsMs 2621782 HMDB33232 #<Reference:0x000055ce329dcf50> Black tea Type 1 Green tea Type 1 Herbal tea Type 1 Red tea Type 1 Tea Type 1 specific Camellia sinensis 4442