1.0 2016-09-30 22:54:37 UTC 2020-04-22 15:10:48 UTC BMDB0002364 BMDB02364 Oleanolic acid 3beta-Hydroxyolean-12-en-28-Oic acid Astrantiagenin C Caryophyllin Giganteumgenin C Oleanic acid Virgaureagenin b Oleanolate 3b-Hydroxyolean-12-en-28-Oate 3b-Hydroxyolean-12-en-28-Oic acid 3beta-Hydroxyolean-12-en-28-Oate 3Β-hydroxyolean-12-en-28-Oate 3Β-hydroxyolean-12-en-28-Oic acid Oleanate (3-beta)-3-Hydroxyolean-12-en-28-oate (3-beta)-3-Hydroxyolean-12-en-28-oic acid (3.beta.)-3-beta-hydroxy-olean-12-en-28-oate (3.beta.)-3-beta-hydroxy-olean-12-en-28-oic acid (3.beta.)-3-hydroxy-olean-12-en-28-oate (3.beta.)-3-hydroxy-olean-12-en-28-oic acid (4AS,5S,6as,6BR,8R,8ar,10S,12ar,12BR,14BS)-10-hydroxy-2,2,6a,6b,9,9,12a-heptamethyl-1,3,4,5,6,6a,6b,7,8,8a,9,10,11,12,12a,12b,13,14b-octadecahydro-2H-picene-4a-carboxylic acid 3-beta-Hydroxyolean-12-en-28-oate 3-beta-Hydroxyolean-12-en-28-oic acid 3.beta.-hydroxy-olean-12-en-28-oate 3.beta.-hydroxy-olean-12-en-28-oic acid 3beta-Hydroxy-olean-12-en-28-oate 3beta-Hydroxy-olean-12-en-28-oic acid Oleanane triterpenes Triterpenes, oleanane Oleanol Hederins (3beta)-3-Hydroxyolean-12-en-28-oic acid (3β)-3-Hydroxyolean-12-en-28-oic acid (+)-Oleanolic acid Gledigenin 1 Oleonolic acid OA C30H48O3 456.711 456.360345406 (4aS,6aS,6bR,8aR,10S,12aR,12bR,14bS)-10-hydroxy-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-4a-carboxylic acid oleanolic acid 508-02-1 CC1(C)CC[C@@]2(CC[C@]3(C)C(=CC[C@@H]4[C@@]5(C)CC[C@H](O)C(C)(C)[C@@H]5CC[C@@]34C)[C@@H]2C1)C(O)=O InChI=1S/C30H48O3/c1-25(2)14-16-30(24(32)33)17-15-28(6)19(20(30)18-25)8-9-22-27(5)12-11-23(31)26(3,4)21(27)10-13-29(22,28)7/h8,20-23,31H,9-18H2,1-7H3,(H,32,33)/t20-,21-,22+,23-,27-,28+,29+,30-/m0/s1 MIJYXULNPSFWEK-GTOFXWBISA-N belongs to the class of organic compounds known as triterpenoids. These are terpene molecules containing six isoprene units. Organic compounds Lipids and lipid-like molecules Prenol lipids Triterpenoids Triterpenoids Carbonyl compounds Carboxylic acids Cyclic alcohols and derivatives Hydrocarbon derivatives Monocarboxylic acids and derivatives Organic oxides Secondary alcohols Alcohol Aliphatic homopolycyclic compound Carbonyl group Carboxylic acid Carboxylic acid derivative Cyclic alcohol Hydrocarbon derivative Monocarboxylic acid or derivatives Organic oxide Organic oxygen compound Organooxygen compound Secondary alcohol Triterpenoid Aliphatic homopolycyclic compounds Oleanane triterpenoids Oleanane triterpenoids Oleananes hydroxy monocarboxylic acid pentacyclic triterpenoid Solid melting_point 310 °C logp 7.09 ALOGPS logs -5.75 ALOGPS logp 6.59 ChemAxon pka_strongest_acidic 4.74 ChemAxon pka_strongest_basic -0.84 ChemAxon iupac (4aS,6aS,6bR,8aR,10S,12aR,12bR,14bS)-10-hydroxy-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-4a-carboxylic acid ChemAxon average_mass 456.711 ChemAxon mono_mass 456.360345406 ChemAxon smiles CC1(C)CC[C@@]2(CC[C@]3(C)C(=CC[C@@H]4[C@@]5(C)CC[C@H](O)C(C)(C)[C@@H]5CC[C@@]34C)[C@@H]2C1)C(O)=O ChemAxon formula C30H48O3 ChemAxon inchi InChI=1S/C30H48O3/c1-25(2)14-16-30(24(32)33)17-15-28(6)19(20(30)18-25)8-9-22-27(5)12-11-23(31)26(3,4)21(27)10-13-29(22,28)7/h8,20-23,31H,9-18H2,1-7H3,(H,32,33)/t20-,21-,22+,23-,27-,28+,29+,30-/m0/s1 ChemAxon inchikey MIJYXULNPSFWEK-GTOFXWBISA-N ChemAxon polar_surface_area 57.53 ChemAxon refractivity 133.62 ChemAxon polarizability 54.87 ChemAxon rotatable_bond_count 1 ChemAxon acceptor_count 3 ChemAxon donor_count 2 ChemAxon physiological_charge -1 ChemAxon formal_charge 0 ChemAxon number_of_rings 5 ChemAxon bioavailability 1 ChemAxon rule_of_five Yes ChemAxon ghose_filter Yes ChemAxon veber_rule Yes ChemAxon mddr_like_rule Yes ChemAxon Specdb::NmrTwoD 1820 Specdb::CMs 2331 Specdb::CMs 10506 Specdb::CMs 31415 Specdb::CMs 38393 Specdb::CMs 160783 Specdb::MsMs 6346 Specdb::MsMs 239683 Specdb::MsMs 239684 Specdb::MsMs 239685 Specdb::MsMs 241738 Specdb::MsMs 241739 Specdb::MsMs 241740 Specdb::MsMs 2245276 Specdb::MsMs 2249022 Specdb::MsMs 2249381 Specdb::MsMs 2251063 Specdb::MsMs 2251332 Specdb::MsMs 2302791 Specdb::MsMs 2302792 Specdb::MsMs 2302793 Specdb::MsMs 3066803 Specdb::MsMs 3066804 Specdb::MsMs 3066805 Specdb::NmrOneD 1883 FDB013034 10062 10494 C17148 37659 C00019064 Oleanolic_acid Corey, E. J.; Lee, Jaemoon. Enantioselective total synthesis of oleanolic acid, erythrodiol, b-amyrin, and other pentacyclic triterpenes from a common intermediate. Journal of the American Chemical Society (1993), 115(19), 8873-4.