1.0 2010-04-08 22:10:29 UTC 2019-11-26 03:07:53 UTC FDB013030 16-Acetylpriverogenin A Sapogenin from Primula veris (cowslip). 16-Acetylpriverogenin A is found in tea and herbs and spices. 16-Acetylpriverogenin A C32H50O5 514.7364 514.36582471 4a-formyl-4,10-dihydroxy-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-icosahydropicen-5-yl acetate 4a-formyl-4,10-dihydroxy-2,2,6a,6b,9,9,12a-heptamethyl-1,3,4,5,6,7,8,8a,10,11,12,12b,13,14b-tetradecahydropicen-5-yl acetate 26339-85-5 CC(=O)OC1CC2(C)C(=CCC3C4(C)CCC(O)C(C)(C)C4CCC23C)C2CC(C)(C)CC(O)C12C=O InChI=1S/C32H50O5/c1-19(34)37-26-17-31(8)20(21-15-27(2,3)16-25(36)32(21,26)18-33)9-10-23-29(6)13-12-24(35)28(4,5)22(29)11-14-30(23,31)7/h9,18,21-26,35-36H,10-17H2,1-8H3 RVLOLIBRTUMCPC-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 Aldehydes Carboxylic acid esters Cyclic alcohols and derivatives Hydrocarbon derivatives Monocarboxylic acids and derivatives Organic oxides Secondary alcohols Alcohol Aldehyde Aliphatic homopolycyclic compound Carbonyl group Carboxylic acid derivative Carboxylic acid ester Cyclic alcohol Hydrocarbon derivative Monocarboxylic acid or derivatives Organic oxide Organic oxygen compound Organooxygen compound Secondary alcohol Triterpenoid logp 5.09 ALOGPS logs -5.60 ALOGPS solubility 1.29e-03 g/l ALOGPS melting_point Mp 200-204° logp 4.42 ChemAxon pka_strongest_acidic 14.43 ChemAxon pka_strongest_basic -0.84 ChemAxon iupac 4a-formyl-4,10-dihydroxy-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-icosahydropicen-5-yl acetate ChemAxon average_mass 514.7364 ChemAxon mono_mass 514.36582471 ChemAxon smiles CC(=O)OC1CC2(C)C(=CCC3C4(C)CCC(O)C(C)(C)C4CCC23C)C2CC(C)(C)CC(O)C12C=O ChemAxon formula C32H50O5 ChemAxon inchi InChI=1S/C32H50O5/c1-19(34)37-26-17-31(8)20(21-15-27(2,3)16-25(36)32(21,26)18-33)9-10-23-29(6)13-12-24(35)28(4,5)22(29)11-14-30(23,31)7/h9,18,21-26,35-36H,10-17H2,1-8H3 ChemAxon inchikey RVLOLIBRTUMCPC-UHFFFAOYSA-N ChemAxon polar_surface_area 83.83 ChemAxon refractivity 144.88 ChemAxon polarizability 60.25 ChemAxon rotatable_bond_count 3 ChemAxon acceptor_count 4 ChemAxon donor_count 2 ChemAxon physiological_charge 0 ChemAxon formal_charge 0 ChemAxon Specdb::CMs 23819 Specdb::CMs 43913 Specdb::MsMs 80478 Specdb::MsMs 80479 Specdb::MsMs 80480 Specdb::MsMs 141363 Specdb::MsMs 141364 Specdb::MsMs 141365 Specdb::MsMs 2385932 Specdb::MsMs 2385933 Specdb::MsMs 2385934 Specdb::MsMs 2576763 Specdb::MsMs 2576764 Specdb::MsMs 2576765 HMDB34529 #<Reference:0x000055ce319ce3e8> 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