1.0 2010-04-08 22:13:54 UTC 2019-11-26 03:16:36 UTC FDB018743 Soyasapogenol F Constituent of Trifolium pratense (red clover). Soyasapogenol F is found in tea and herbs and spices. Soyasapogenol B1 Urol (pharmaceutical) C30H50O3 458.7162 458.375995466 (3S,4S,6aR,6bS,8aR,9R,14aR,14bR)-4-(hydroxymethyl)-4,6a,6b,8a,11,11,14b-heptamethyl-1,2,3,4,4a,5,6,6a,6b,7,8,8a,9,10,11,12,13,14,14a,14b-icosahydropicene-3,9-diol (3S,4S,6aR,6bS,8aR,9R,14aR,14bR)-4-(hydroxymethyl)-4,6a,6b,8a,11,11,14b-heptamethyl-1,2,3,4a,5,6,7,8,9,10,12,13,14,14a-tetradecahydropicene-3,9-diol 97503-03-2 CC1(C)C[C@@H](O)[C@]2(C)CC[C@]3(C)C(CC[C@@H]4[C@@]5(C)CC[C@H](O)[C@](C)(CO)C5CC[C@@]34C)=C2C1 InChI=1S/C30H50O3/c1-25(2)16-20-19-8-9-22-27(4)12-11-23(32)28(5,18-31)21(27)10-13-30(22,7)29(19,6)15-14-26(20,3)24(33)17-25/h21-24,31-33H,8-18H2,1-7H3/t21?,22-,23+,24-,26-,27+,28-,29-,30-/m1/s1 FAQHDLWADGCEMS-PLKKNJIASA-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 Primary alcohols Secondary alcohols Steroids and steroid derivatives Alcohol Aliphatic homopolycyclic compound Cyclic alcohol Hydrocarbon derivative Organic oxygen compound Organooxygen compound Primary alcohol Secondary alcohol Steroid Triterpenoid logp 5.28 ALOGPS logs -4.93 ALOGPS solubility 5.36e-03 g/l ALOGPS logp 4.85 ChemAxon pka_strongest_acidic 14.49 ChemAxon pka_strongest_basic -0.48 ChemAxon iupac (3S,4S,6aR,6bS,8aR,9R,14aR,14bR)-4-(hydroxymethyl)-4,6a,6b,8a,11,11,14b-heptamethyl-1,2,3,4,4a,5,6,6a,6b,7,8,8a,9,10,11,12,13,14,14a,14b-icosahydropicene-3,9-diol ChemAxon average_mass 458.7162 ChemAxon mono_mass 458.375995466 ChemAxon smiles CC1(C)C[C@@H](O)[C@]2(C)CC[C@]3(C)C(CC[C@@H]4[C@@]5(C)CC[C@H](O)[C@](C)(CO)C5CC[C@@]34C)=C2C1 ChemAxon formula C30H50O3 ChemAxon inchi InChI=1S/C30H50O3/c1-25(2)16-20-19-8-9-22-27(4)12-11-23(32)28(5,18-31)21(27)10-13-30(22,7)29(19,6)15-14-26(20,3)24(33)17-25/h21-24,31-33H,8-18H2,1-7H3/t21?,22-,23+,24-,26-,27+,28-,29-,30-/m1/s1 ChemAxon inchikey FAQHDLWADGCEMS-PLKKNJIASA-N ChemAxon polar_surface_area 60.69 ChemAxon refractivity 134.93 ChemAxon polarizability 55.69 ChemAxon rotatable_bond_count 1 ChemAxon acceptor_count 3 ChemAxon donor_count 3 ChemAxon physiological_charge 0 ChemAxon formal_charge 0 ChemAxon Specdb::CMs 13917 Specdb::CMs 135948 Specdb::CMs 143682 Specdb::MsMs 75297 Specdb::MsMs 75298 Specdb::MsMs 75299 Specdb::MsMs 134910 Specdb::MsMs 134911 Specdb::MsMs 134912 Specdb::MsMs 2784739 Specdb::MsMs 2784740 Specdb::MsMs 2784741 Specdb::MsMs 2921494 Specdb::MsMs 2921495 Specdb::MsMs 2921496 HMDB39212 #<Reference:0x000055ce3176c398> Black tea Type 1 Green tea Type 1 Herbal tea Type 1 Herbs and Spices Unknown generic Red tea Type 1 Tea Type 1 specific Camellia sinensis 4442