1.0 2010-04-08 22:10:47 UTC 2019-11-26 03:08:36 UTC FDB013559 alpha-Elemolic acid Constituent of elemi resin (from Canarium subspecies). Flavouring agent. alpha-Elemolic acid is found in herbs and spices. a-Elemolic acid alpha-elemenadienolic acid alpha-Elemolic acid Elemadienolic acid C30H48O3 456.7003 456.360345402 (2S)-2-[(2S,5R,7R,11S,14S,15S)-5-hydroxy-2,6,6,11,15-pentamethyltetracyclo[8.7.0.0²,⁷.0¹¹,¹⁵]heptadec-1(10)-en-14-yl]-6-methylhept-5-enoic acid α-elemolic acid 28282-27-1 [H][C@]1(CC[C@]2(C)C3=C(CC[C@@]12C)[C@@]1(C)CC[C@@H](O)C(C)(C)[C@]1([H])CC3)[C@H](CCC=C(C)C)C(O)=O InChI=1S/C30H48O3/c1-19(2)9-8-10-20(26(32)33)21-13-17-30(7)23-11-12-24-27(3,4)25(31)15-16-28(24,5)22(23)14-18-29(21,30)6/h9,20-21,24-25,31H,8,10-18H2,1-7H3,(H,32,33)/t20-,21-,24-,25+,28+,29-,30+/m0/s1 NBSBUIQBEPROBM-IMJUUJEHSA-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 3-alpha-hydroxysteroids Carbonyl compounds Carboxylic acids Cyclic alcohols and derivatives Hydrocarbon derivatives Hydroxy fatty acids Medium-chain fatty acids Monocarboxylic acids and derivatives Monohydroxy bile acids, alcohols and derivatives Organic oxides Secondary alcohols Steroid acids Unsaturated fatty acids 3-alpha-hydroxysteroid 3-hydroxysteroid Alcohol Aliphatic homopolycyclic compound Bile acid, alcohol, or derivatives Carbonyl group Carboxylic acid Carboxylic acid derivative Cyclic alcohol Fatty acid Fatty acyl Hydrocarbon derivative Hydroxy bile acid, alcohol, or derivatives Hydroxy fatty acid Hydroxysteroid Medium-chain fatty acid Monocarboxylic acid or derivatives Monohydroxy bile acid, alcohol, or derivatives Organic oxide Organic oxygen compound Organooxygen compound Secondary alcohol Steroid Steroid acid Triterpenoid Unsaturated fatty acid Dammarenes triterpenoid logp 6.62 ALOGPS logs -5.26 ALOGPS solubility 2.52e-03 g/l ALOGPS melting_point Mp 220-224° logp 6.64 ChemAxon pka_strongest_acidic 4.85 ChemAxon pka_strongest_basic -0.81 ChemAxon iupac (2S)-2-[(2S,5R,7R,11S,14S,15S)-5-hydroxy-2,6,6,11,15-pentamethyltetracyclo[8.7.0.0²,⁷.0¹¹,¹⁵]heptadec-1(10)-en-14-yl]-6-methylhept-5-enoic acid ChemAxon average_mass 456.7003 ChemAxon mono_mass 456.360345402 ChemAxon smiles [H][C@]1(CC[C@]2(C)C3=C(CC[C@@]12C)[C@@]1(C)CC[C@@H](O)C(C)(C)[C@]1([H])CC3)[C@H](CCC=C(C)C)C(O)=O ChemAxon formula C30H48O3 ChemAxon inchi InChI=1S/C30H48O3/c1-19(2)9-8-10-20(26(32)33)21-13-17-30(7)23-11-12-24-27(3,4)25(31)15-16-28(24,5)22(23)14-18-29(21,30)6/h9,20-21,24-25,31H,8,10-18H2,1-7H3,(H,32,33)/t20-,21-,24-,25+,28+,29-,30+/m0/s1 ChemAxon inchikey NBSBUIQBEPROBM-IMJUUJEHSA-N ChemAxon polar_surface_area 57.53 ChemAxon refractivity 136.24 ChemAxon polarizability 55.62 ChemAxon rotatable_bond_count 5 ChemAxon acceptor_count 3 ChemAxon donor_count 2 ChemAxon physiological_charge -1 ChemAxon formal_charge 0 ChemAxon Specdb::CMs 17954 Specdb::CMs 44115 Specdb::CMs 147374 Specdb::MsMs 85059 Specdb::MsMs 85060 Specdb::MsMs 85061 Specdb::MsMs 147066 Specdb::MsMs 147067 Specdb::MsMs 147068 Specdb::MsMs 2707256 Specdb::MsMs 2707257 Specdb::MsMs 2707258 Specdb::MsMs 2998517 Specdb::MsMs 2998518 Specdb::MsMs 2998519 HMDB34964 #<Reference:0x00007f093c07aed0> Herbs and Spices Unknown generic