1.0 2010-04-08 22:11:56 UTC 2019-11-26 03:11:54 UTC FDB015587 alpha-Amyrin palmitate Isolated from Santalum album (sandalwood). Flavouring ingredient. alpha-Amyrin palmitate is found in black elderberry. 3-Hexadecanoate(3beta)-urs-12-en-3-ol a-Amyrin palmitate Alpha-amyrin palmitate Alpha-amyryl hexadecanoate Urs-12-en-3-ol, 3-hexadecanoate, (3beta)- Urs-12-en-3beta-ol palmitate C46H80O2 665.1262 664.615831804 (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 hexadecanoate 22255-10-3 [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@@]12C InChI=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/s1 BHPGRVQWTLDDQX-YJUDZGFYSA-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 acid esters Fatty acid esters Hydrocarbon derivatives Monocarboxylic acids and derivatives Organic oxides Aliphatic homopolycyclic compound Carbonyl group Carboxylic acid derivative Carboxylic acid ester Fatty acid ester Fatty acyl Hydrocarbon derivative Monocarboxylic acid or derivatives Organic oxide Organic oxygen compound Organooxygen compound Triterpenoid logp 10.70 ALOGPS logs -7.81 ALOGPS solubility 1.04e-05 g/l ALOGPS melting_point Mp 73-74° logp 14.31 ChemAxon pka_strongest_basic -7 ChemAxon iupac (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 ChemAxon average_mass 665.1262 ChemAxon mono_mass 664.615831804 ChemAxon smiles [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@@]12C ChemAxon formula C46H80O2 ChemAxon inchi InChI=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/s1 ChemAxon inchikey BHPGRVQWTLDDQX-YJUDZGFYSA-N ChemAxon polar_surface_area 26.3 ChemAxon refractivity 205.57 ChemAxon polarizability 88.38 ChemAxon rotatable_bond_count 16 ChemAxon acceptor_count 1 ChemAxon donor_count 0 ChemAxon physiological_charge 0 ChemAxon formal_charge 0 ChemAxon Specdb::CMs 58398 Specdb::MsMs 104544 Specdb::MsMs 104545 Specdb::MsMs 104546 Specdb::MsMs 170850 Specdb::MsMs 170851 Specdb::MsMs 170852 Specdb::MsMs 2472681 Specdb::MsMs 2472682 Specdb::MsMs 2472683 Specdb::MsMs 2490075 Specdb::MsMs 2490076 Specdb::MsMs 2490077 HMDB36660 #<Reference:0x000055ce32aa6670> #<Reference:0x000055ce32aa6468> Black elderberry Type 1 specific Sambucus nigra 4202 Anti feedant 275 Anti hepatotoxic 328 Any compound that is able to prevent damage to the liver. Anti-anemic 113 Any substance introduced into a living organism with therapeutic or diagnostic purpose. Anti-arthritic 131 Any substance introduced into a living organism with therapeutic or diagnostic purpose. Anti-inflammatory 370 A substance that reduces or suppresses inflammation.