1.0 2010-04-08 22:11:56 UTC 2019-11-26 03:11:55 UTC FDB015602 3alpha-Acetoxy-11-keto-beta-boswellic acid Isolated from Boswellia serrata (Indian olibanum). 3alpha-Acetoxy-11-keto-beta-boswellic acid is found in herbs and spices. C32H48O5 512.7205 512.350174646 (3R,4R,6aR,6bS,8aR,11R,12S,12aR,14bS)-3-(acetyloxy)-4,6a,6b,8a,11,12,14b-heptamethyl-14-oxo-1,2,3,4,4a,5,6,6a,6b,7,8,8a,9,10,11,12,12a,14,14a,14b-icosahydropicene-4-carboxylic acid (3R,4R,6aR,6bS,8aR,11R,12S,12aR,14bS)-3-(acetyloxy)-4,6a,6b,8a,11,12,14b-heptamethyl-14-oxo-1,2,3,4a,5,6,7,8,9,10,11,12,12a,14a-tetradecahydropicene-4-carboxylic acid 67416-61-9 C[C@@H]1CC[C@]2(C)CC[C@]3(C)C(=CC(=O)C4[C@@]5(C)CC[C@@H](OC(C)=O)[C@@](C)(C5CC[C@@]34C)C(O)=O)[C@@H]2[C@H]1C InChI=1S/C32H48O5/c1-18-9-12-28(4)15-16-30(6)21(25(28)19(18)2)17-22(34)26-29(5)13-11-24(37-20(3)33)32(8,27(35)36)23(29)10-14-31(26,30)7/h17-19,23-26H,9-16H2,1-8H3,(H,35,36)/t18-,19+,23?,24-,25+,26?,28-,29+,30-,31-,32-/m1/s1 HMMGKOVEOFBCAU-MFIYSICPSA-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 Carboxylic acid esters Carboxylic acids Cyclohexenones Dicarboxylic acids and derivatives Hydrocarbon derivatives Hydroxysteroids Organic oxides 15-hydroxysteroid Aliphatic homopolycyclic compound Carbonyl group Carboxylic acid Carboxylic acid derivative Carboxylic acid ester Cyclohexenone Dicarboxylic acid or derivatives Hydrocarbon derivative Hydroxysteroid Ketone Organic oxide Organic oxygen compound Organooxygen compound Steroid Triterpenoid logp 5.90 ALOGPS logs -6.06 ALOGPS solubility 4.50e-04 g/l ALOGPS melting_point Mp 271° logp 6.46 ChemAxon pka_strongest_acidic 4.32 ChemAxon pka_strongest_basic -5.1 ChemAxon iupac (3R,4R,6aR,6bS,8aR,11R,12S,12aR,14bS)-3-(acetyloxy)-4,6a,6b,8a,11,12,14b-heptamethyl-14-oxo-1,2,3,4,4a,5,6,6a,6b,7,8,8a,9,10,11,12,12a,14,14a,14b-icosahydropicene-4-carboxylic acid ChemAxon average_mass 512.7205 ChemAxon mono_mass 512.350174646 ChemAxon smiles C[C@@H]1CC[C@]2(C)CC[C@]3(C)C(=CC(=O)C4[C@@]5(C)CC[C@@H](OC(C)=O)[C@@](C)(C5CC[C@@]34C)C(O)=O)[C@@H]2[C@H]1C ChemAxon formula C32H48O5 ChemAxon inchi InChI=1S/C32H48O5/c1-18-9-12-28(4)15-16-30(6)21(25(28)19(18)2)17-22(34)26-29(5)13-11-24(37-20(3)33)32(8,27(35)36)23(29)10-14-31(26,30)7/h17-19,23-26H,9-16H2,1-8H3,(H,35,36)/t18-,19+,23?,24-,25+,26?,28-,29+,30-,31-,32-/m1/s1 ChemAxon inchikey HMMGKOVEOFBCAU-MFIYSICPSA-N ChemAxon polar_surface_area 80.67 ChemAxon refractivity 143.49 ChemAxon polarizability 59.04 ChemAxon rotatable_bond_count 3 ChemAxon acceptor_count 4 ChemAxon donor_count 1 ChemAxon physiological_charge -1 ChemAxon formal_charge 0 ChemAxon Specdb::CMs 9924 Specdb::CMs 44967 Specdb::MsMs 96555 Specdb::MsMs 96556 Specdb::MsMs 96557 Specdb::MsMs 161061 Specdb::MsMs 161062 Specdb::MsMs 161063 Specdb::MsMs 2817885 Specdb::MsMs 2817886 Specdb::MsMs 2817887 Specdb::MsMs 2887466 Specdb::MsMs 2887467 Specdb::MsMs 2887468 HMDB36672 #<Reference:0x000055ac3ea2f720> Herbs and Spices Unknown generic