EMBL-EBI | Chemical Biology | ChEBI

Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search

CHEBI:176284 - alpha-Amyrin palmitate

Default Structure
ChEBI IDCHEBI:176284
ChEBI Namealpha-Amyrin palmitate
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC46H80O2
Net Charge0
Average Mass665.144
Monoisotopic Mass664.61583
SMILES[H][C@]12CC=C3[C@@](C)(CC[C@@]4(C)CC[C@@H](C)[C@H](C)[C@@]34[H])[C@]1(C)CC[C@@]1([H])C(C)(C)[C@@H](OC(=O)CCCCCCCCCCCCCCC)CC[C@]21C
InChIInChI=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
InChIKeyBHPGRVQWTLDDQX-IBZMRETLSA-N
ChEBI Ontology
Outgoing Relation(s)
alpha-Amyrin palmitate (CHEBI:176284) is a triterpenoid (CHEBI:36615)
IUPAC Name 
[(3S,4aR,6aR,6bS,8aR,11R,12S,12aR,14aR,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
Manual XrefsDatabases
8570095ChemSpider