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CHEBI:176281 - beta-Sitosterol palmitate

Default Structure
ChEBI IDCHEBI:176281
ChEBI Namebeta-Sitosterol palmitate
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC45H80O2
Net Charge0
Average Mass653.133
Monoisotopic Mass652.61583
SMILESCCCCCCCCCCCCCCCC(=O)OC1CCC2(C)C(=CCC3C2CCC2(C)C(C(C)CCC(CC)C(C)C)CCC32)C1
InChIInChI=1S/C45H80O2/c1-8-10-11-12-13-14-15-16-17-18-19-20-21-22-43(46)47-38-29-31-44(6)37(33-38)25-26-39-41-28-27-40(45(41,7)32-30-42(39)44)35(5)23-24-36(9-2)34(3)4/h25,34-36,38-42H,8-24,26-33H2,1-7H3
InChIKeyIWTJDVBNIUPPPB-UHFFFAOYSA-N
ChEBI Ontology
Outgoing Relation(s)
beta-Sitosterol palmitate (CHEBI:176281) is a triterpenoid (CHEBI:36615)
IUPAC Name 
[17-(5-ethyl-6-methylheptan-2-yl)-10,13-dimethyl-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-yl] hexadecanoate
Manual XrefsDatabases
11273973ChemSpider
HMDB0034088HMDB