1.0 2010-04-08 22:10:29 UTC 2019-11-26 03:07:53 UTC FDB013026 Barringtogenol C Sapogenin from Thea sinensis (tea). Barringtogenol C is found in tea. Acutangenol B Aescinidin Barrigenol R2 Barringtogenol C Careyagenol A Escinidin Giganteumgenin M Jegosapogenol Jegosapogenol A Olean-12-ene-3beta,16alpha,21beta,22alpha,28-pentol Proschiwalligenin PB1 Saniculagenin D Theasapogenol B C30H50O5 490.715 490.36582471 4a-(hydroxymethyl)-2,2,6a,6b,9,9,12a-heptamethyl-1,2,3,4,4a,5,6,6a,6b,7,8,8a,9,10,11,12,12a,12b,13,14b-icosahydropicene-3,4,5,10-tetrol 4a-(hydroxymethyl)-2,2,6a,6b,9,9,12a-heptamethyl-1,3,4,5,6,7,8,8a,10,11,12,12b,13,14b-tetradecahydropicene-3,4,5,10-tetrol 13844-01-4 CC1(C)CC2C3=CCC4C5(C)CCC(O)C(C)(C)C5CCC4(C)C3(C)CC(O)C2(CO)C(O)C1O InChI=1S/C30H50O5/c1-25(2)14-18-17-8-9-20-27(5)12-11-21(32)26(3,4)19(27)10-13-28(20,6)29(17,7)15-22(33)30(18,16-31)24(35)23(25)34/h8,18-24,31-35H,9-16H2,1-7H3 AYDKOFQQBHRXEW-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 Polyols Primary alcohols Secondary alcohols Alcohol Aliphatic homopolycyclic compound Cyclic alcohol Hydrocarbon derivative Organic oxygen compound Organooxygen compound Polyol Primary alcohol Secondary alcohol Triterpenoid logp 3.77 ALOGPS logs -4.19 ALOGPS solubility 3.16e-02 g/l ALOGPS melting_point Mp 302-308° logp 2.74 ChemAxon pka_strongest_acidic 13.32 ChemAxon pka_strongest_basic -0.84 ChemAxon iupac 4a-(hydroxymethyl)-2,2,6a,6b,9,9,12a-heptamethyl-1,2,3,4,4a,5,6,6a,6b,7,8,8a,9,10,11,12,12a,12b,13,14b-icosahydropicene-3,4,5,10-tetrol ChemAxon average_mass 490.715 ChemAxon mono_mass 490.36582471 ChemAxon smiles CC1(C)CC2C3=CCC4C5(C)CCC(O)C(C)(C)C5CCC4(C)C3(C)CC(O)C2(CO)C(O)C1O ChemAxon formula C30H50O5 ChemAxon inchi InChI=1S/C30H50O5/c1-25(2)14-18-17-8-9-20-27(5)12-11-21(32)26(3,4)19(27)10-13-28(20,6)29(17,7)15-22(33)30(18,16-31)24(35)23(25)34/h8,18-24,31-35H,9-16H2,1-7H3 ChemAxon inchikey AYDKOFQQBHRXEW-UHFFFAOYSA-N ChemAxon polar_surface_area 101.15 ChemAxon refractivity 137.92 ChemAxon polarizability 57.63 ChemAxon rotatable_bond_count 1 ChemAxon acceptor_count 5 ChemAxon donor_count 5 ChemAxon physiological_charge 0 ChemAxon formal_charge 0 ChemAxon Specdb::MsMs 12722 Specdb::MsMs 12723 Specdb::MsMs 12724 Specdb::MsMs 19394 Specdb::MsMs 19395 Specdb::MsMs 19396 Specdb::MsMs 2709563 Specdb::MsMs 2709564 Specdb::MsMs 2709565 Specdb::MsMs 2995817 Specdb::MsMs 2995818 Specdb::MsMs 2995819 Specdb::CMs 9544 Specdb::CMs 43911 Specdb::CMs 164415 Specdb::CMs 164417 Specdb::CMs 164419 Specdb::CMs 164421 Specdb::CMs 164423 Specdb::CMs 164425 Specdb::CMs 164429 Specdb::CMs 164431 Specdb::CMs 164433 Specdb::CMs 164435 Specdb::CMs 164437 Specdb::CMs 164439 Specdb::CMs 164441 Specdb::CMs 164444 Specdb::CMs 164446 Specdb::CMs 164448 Specdb::CMs 172689 Specdb::CMs 280478 HMDB34525 #<Reference:0x000055ce31fa8fc0> Black tea Type 1 Green tea Type 1 Herbal tea Type 1 Red tea Type 1 Tea Type 1 specific Camellia sinensis 4442