1.02010-04-08 22:11:56 UTC2019-11-26 03:11:54 UTCFDB015587alpha-Amyrin palmitateIsolated from Santalum album (sandalwood). Flavouring ingredient. alpha-Amyrin palmitate is found in black elderberry.3-Hexadecanoate(3beta)-urs-12-en-3-ola-Amyrin palmitateAlpha-amyrin palmitateAlpha-amyryl hexadecanoateUrs-12-en-3-ol, 3-hexadecanoate, (3beta)-Urs-12-en-3beta-ol palmitateC46H80O2665.1262664.615831804(3S,6aR,6bS,8aR,11R,12S,12aR,14bR)-4,4,6a,6b,8a,11,12,14b-octamethyl-1,2,3,4,4a,5,6,6a,6b,7,8,8a,9,10,11,12,12a,14,14a,14b-icosahydropicen-3-yl hexadecanoate(3S,6aR,6bS,8aR,11R,12S,12aR,14bR)-4,4,6a,6b,8a,11,12,14b-octamethyl-2,3,4a,5,6,7,8,9,10,11,12,12a,14,14a-tetradecahydro-1H-picen-3-yl hexadecanoate22255-10-3[H][C@@]12[C@@H](C)[C@H](C)CC[C@]1(C)CC[C@]1(C)C2=CCC2[C@@]3(C)CC[C@H](OC(=O)CCCCCCCCCCCCCCC)C(C)(C)C3CC[C@@]12CInChI=1S/C46H80O2/c1-10-11-12-13-14-15-16-17-18-19-20-21-22-23-40(47)48-39-28-30-44(7)37(42(39,4)5)27-31-46(9)38(44)25-24-36-41-35(3)34(2)26-29-43(41,6)32-33-45(36,46)8/h24,34-35,37-39,41H,10-23,25-33H2,1-9H3/t34-,35+,37?,38?,39+,41+,43-,44+,45-,46-/m1/s1BHPGRVQWTLDDQX-YJUDZGFYSA-N belongs to the class of organic compounds known as triterpenoids. These are terpene molecules containing six isoprene units.TriterpenoidsOrganic compoundsLipids and lipid-like moleculesPrenol lipidsTriterpenoidsAliphatic homopolycyclic compoundsCarbonyl compoundsCarboxylic acid estersFatty acid estersHydrocarbon derivativesMonocarboxylic acids and derivativesOrganic oxidesAliphatic homopolycyclic compoundCarbonyl groupCarboxylic acid derivativeCarboxylic acid esterFatty acid esterFatty acylHydrocarbon derivativeMonocarboxylic acid or derivativesOrganic oxideOrganic oxygen compoundOrganooxygen compoundTriterpenoidlogp10.70logs-7.81solubility1.04e-05 g/lmelting_pointMp 73-74°logp14.31pka_strongest_basic-7iupac(3S,6aR,6bS,8aR,11R,12S,12aR,14bR)-4,4,6a,6b,8a,11,12,14b-octamethyl-1,2,3,4,4a,5,6,6a,6b,7,8,8a,9,10,11,12,12a,14,14a,14b-icosahydropicen-3-yl hexadecanoateaverage_mass665.1262mono_mass664.615831804smiles[H][C@@]12[C@@H](C)[C@H](C)CC[C@]1(C)CC[C@]1(C)C2=CCC2[C@@]3(C)CC[C@H](OC(=O)CCCCCCCCCCCCCCC)C(C)(C)C3CC[C@@]12CformulaC46H80O2inchiInChI=1S/C46H80O2/c1-10-11-12-13-14-15-16-17-18-19-20-21-22-23-40(47)48-39-28-30-44(7)37(42(39,4)5)27-31-46(9)38(44)25-24-36-41-35(3)34(2)26-29-43(41,6)32-33-45(36,46)8/h24,34-35,37-39,41H,10-23,25-33H2,1-9H3/t34-,35+,37?,38?,39+,41+,43-,44+,45-,46-/m1/s1inchikeyBHPGRVQWTLDDQX-YJUDZGFYSA-Npolar_surface_area26.3refractivity205.57polarizability88.38rotatable_bond_count16acceptor_count1donor_count0physiological_charge0formal_charge0Specdb::CMs58398Specdb::MsMs104544Specdb::MsMs104545Specdb::MsMs104546Specdb::MsMs170850Specdb::MsMs170851Specdb::MsMs170852Specdb::MsMs2472681Specdb::MsMs2472682Specdb::MsMs2472683Specdb::MsMs2490075Specdb::MsMs2490076Specdb::MsMs2490077HMDB36660#<Reference:0x00005556743d36a8>#<Reference:0x00005556743d2e88>Black elderberryType 1specificSambucus nigra4202anti anemic113Any substance introduced into a living organism with therapeutic or diagnostic purpose.anti arthritic131Any substance introduced into a living organism with therapeutic or diagnostic purpose.anti feedant275anti hepatotoxic328Any compound that is able to prevent damage to the liver.anti inflammatory370A substance that reduces or suppresses inflammation.