CHEBI:176281 - beta-Sitosterol palmitate

Main ChEBI Ontology Automatic Xrefs Reactions Pathways Models
This entity has been annotated by a third party. If you would like more information added to this entry, please contact ChEBI via email or GitHub.
ChEBI Name beta-Sitosterol palmitate
ChEBI ID CHEBI:176281
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
Download Molfile XML SDF
Formula C45H80O2
Net Charge 0
Average Mass 653.133
Monoisotopic Mass 652.61583
InChI InChI=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
InChIKey IWTJDVBNIUPPPB-UHFFFAOYSA-N
SMILES O(C1CC=2C(C3C(C4C(C(CC4)C(CCC(C(C)C)CC)C)(CC3)C)CC2)(CC1)C)C(=O)CCCCCCCCCCCCCCC
ChEBI Ontology
Outgoing 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 Xrefs Databases
11273973 ChemSpider
HMDB0034088 HMDB
View more database links