1.0 2010-04-08 22:11:56 UTC 2019-11-26 03:11:53 UTC FDB015580 Rubitic acid Constituent of Rubus fruticosus (blackberry). Rubitic acid is found in fruits. Rubitic acid C30H48O4 472.6997 472.355260024 (1S,2R,4aS,6aR,6bR,7R,10S,12aS,14bS)-7,10-dihydroxy-1,2,6a,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 (1S,2R,4aS,6aR,6bR,7R,10S,12aS,14bS)-7,10-dihydroxy-1,2,6a,6b,9,9,12a-heptamethyl-2,3,4,5,6,7,8,8a,10,11,12,12b,13,14b-tetradecahydro-1H-picene-4a-carboxylic acid 28348-90-5 [H][C@@]12[C@@H](C)[C@H](C)CC[C@@]1(CC[C@]1(C)C2=CCC2[C@@]3(C)CC[C@H](O)C(C)(C)C3C[C@@H](O)[C@@]12C)C(O)=O InChI=1S/C30H48O4/c1-17-10-13-30(25(33)34)15-14-28(6)19(24(30)18(17)2)8-9-20-27(5)12-11-22(31)26(3,4)21(27)16-23(32)29(20,28)7/h8,17-18,20-24,31-32H,9-16H2,1-7H3,(H,33,34)/t17-,18+,20?,21?,22+,23-,24+,27-,28-,29+,30+/m1/s1 DZLAZTJTKXGAGR-SACTXEEHSA-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 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 logp 5.23 ALOGPS logs -5.09 ALOGPS solubility 3.83e-03 g/l ALOGPS melting_point Mp 252-254° logp 5.35 ChemAxon pka_strongest_acidic 4.64 ChemAxon pka_strongest_basic -0.058 ChemAxon iupac (1S,2R,4aS,6aR,6bR,7R,10S,12aS,14bS)-7,10-dihydroxy-1,2,6a,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 472.6997 ChemAxon mono_mass 472.355260024 ChemAxon smiles [H][C@@]12[C@@H](C)[C@H](C)CC[C@@]1(CC[C@]1(C)C2=CCC2[C@@]3(C)CC[C@H](O)C(C)(C)C3C[C@@H](O)[C@@]12C)C(O)=O ChemAxon formula C30H48O4 ChemAxon inchi InChI=1S/C30H48O4/c1-17-10-13-30(25(33)34)15-14-28(6)19(24(30)18(17)2)8-9-20-27(5)12-11-22(31)26(3,4)21(27)16-23(32)29(20,28)7/h8,17-18,20-24,31-32H,9-16H2,1-7H3,(H,33,34)/t17-,18+,20?,21?,22+,23-,24+,27-,28-,29+,30+/m1/s1 ChemAxon inchikey DZLAZTJTKXGAGR-SACTXEEHSA-N ChemAxon polar_surface_area 77.76 ChemAxon refractivity 135.21 ChemAxon polarizability 55.69 ChemAxon rotatable_bond_count 1 ChemAxon acceptor_count 4 ChemAxon donor_count 3 ChemAxon physiological_charge -1 ChemAxon formal_charge 0 ChemAxon Specdb::CMs 12097 Specdb::CMs 44957 Specdb::CMs 149741 Specdb::MsMs 79761 Specdb::MsMs 79762 Specdb::MsMs 79763 Specdb::MsMs 140421 Specdb::MsMs 140422 Specdb::MsMs 140423 Specdb::MsMs 2766779 Specdb::MsMs 2766780 Specdb::MsMs 2766781 Specdb::MsMs 2911799 Specdb::MsMs 2911800 Specdb::MsMs 2911801 HMDB36654 #<Reference:0x000055ce323b40d8> Fruits Unknown generic