Biological Magnetic Resonance Data BankA Repository for Data from NMR Spectroscopy on Proteins, Peptides, Nucleic Acids, and other Biomolecules |
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cholest-5-en-3beta-yl hexadecanoate; cholesterol palmitate; (3beta)-cholest-5-en-3-yl hexadecanoate; cholesteryl hexadecanoate; Hexadecanoic acid, cholesteryl ester; Cholesterol, palmitate; Cholesterol palmitate; Cholesteryl hexadecanoate; Cholesteryl palmitate; (3beta)-cholest-5-en-3-ol hexadecanoate; 16:0 Cholesteryl ester
Molecular Formula: C43H76O2
Natural Isotopic Abundance Mass: 625.06234
Mono-Isotopic Molecular Masses:
InChI string: InChI=1S/C43H76O2/c1-7-8-9-10-11-12-13-14-15-16-17-18-19-23-41(44)45-36-28-30-42(5)35(32-36)24-25-37-39-27-26-38(34(4)22-20-21-33(2)3)43(39,6)31-29-40(37)42/h24,33-34,36-40H,7-23,25-32H2,1-6H3/t34-,36+,37+,38-,39+,40+,42+,43-/m1/s1
PubChem Compound (CID): 246520Reference data were obtained primarily from the PubChem database.
Three dimensional molecular rendering uses Jmol.
InChI string and atom numbering calculated using ALATIS (Hesam Dashti, William M. Westler, John L. Markley, Hamid R. Eghbalnia, "Unique identifiers for small molecules enable rigorous labeling of their atoms", Scientific Data 4, Article number: 170073 (2017), doi:10.1038/sdata.2017.73, https://www.nature.com/articles/sdata201773)