1.0 2010-04-08 22:11:56 UTC 2018-05-29 01:20:07 UTC FDB015579 Micromeric acid Constituent of lavender 3b-Hydroxy-12,20(30)-ursadien-28-oic acid 3beta-Hydroxy-12,20(30)-ursadien-28-oic acid Micromeric acid C30H46O3 454.6844 454.344695338 (1R,4aS,6aS,6bR,10S,12aR,14bS)-10-hydroxy-1,6a,6b,9,9,12a-hexamethyl-2-methylidene-1,2,3,4,4a,5,6,6a,6b,7,8,8a,9,10,11,12,12a,12b,13,14b-icosahydropicene-4a-carboxylic acid (1R,4aS,6aS,6bR,10S,12aR,14bS)-10-hydroxy-1,6a,6b,9,9,12a-hexamethyl-2-methylidene-1,3,4,5,6,7,8,8a,10,11,12,12b,13,14b-tetradecahydropicene-4a-carboxylic acid 22477-85-6 [H][C@@]12[C@@H](C)C(=C)CC[C@@]1(CC[C@]1(C)C2=CCC2[C@@]3(C)CC[C@H](O)C(C)(C)C3CC[C@@]12C)C(O)=O InChI=1S/C30H46O3/c1-18-10-15-30(25(32)33)17-16-28(6)20(24(30)19(18)2)8-9-22-27(5)13-12-23(31)26(3,4)21(27)11-14-29(22,28)7/h8,19,21-24,31H,1,9-17H2,2-7H3,(H,32,33)/t19-,21?,22?,23-,24-,27-,28+,29+,30-/m0/s1 RSYAFUAKPCXDDM-VLFSOLQESA-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 6.57 ALOGPS logs -5.71 ALOGPS solubility 8.83e-04 g/l ALOGPS logp 6.23 ChemAxon pka_strongest_acidic 4.72 ChemAxon pka_strongest_basic -0.84 ChemAxon iupac (1R,4aS,6aS,6bR,10S,12aR,14bS)-10-hydroxy-1,6a,6b,9,9,12a-hexamethyl-2-methylidene-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 454.6844 ChemAxon mono_mass 454.344695338 ChemAxon smiles [H][C@@]12[C@@H](C)C(=C)CC[C@@]1(CC[C@]1(C)C2=CCC2[C@@]3(C)CC[C@H](O)C(C)(C)C3CC[C@@]12C)C(O)=O ChemAxon formula C30H46O3 ChemAxon inchi InChI=1S/C30H46O3/c1-18-10-15-30(25(32)33)17-16-28(6)20(24(30)19(18)2)8-9-22-27(5)13-12-23(31)26(3,4)21(27)11-14-29(22,28)7/h8,19,21-24,31H,1,9-17H2,2-7H3,(H,32,33)/t19-,21?,22?,23-,24-,27-,28+,29+,30-/m0/s1 ChemAxon inchikey RSYAFUAKPCXDDM-VLFSOLQESA-N ChemAxon polar_surface_area 57.53 ChemAxon refractivity 133.48 ChemAxon polarizability 54.12 ChemAxon rotatable_bond_count 1 ChemAxon acceptor_count 3 ChemAxon donor_count 2 ChemAxon physiological_charge -1 ChemAxon formal_charge 0 ChemAxon Specdb::CMs 15279 Specdb::CMs 44956 Specdb::CMs 131785 Specdb::CMs 139519 Specdb::MsMs 93366 Specdb::MsMs 93367 Specdb::MsMs 93368 Specdb::MsMs 157113 Specdb::MsMs 157114 Specdb::MsMs 157115 Specdb::MsMs 2786956 Specdb::MsMs 2786957 Specdb::MsMs 2786958 Specdb::MsMs 2918675 Specdb::MsMs 2918676 Specdb::MsMs 2918677 HMDB36653 #<Reference:0x000055ce319a8d50>