5205-95-8 Purity
95%
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Specification
The molecular formula of cholesteryl nonadecanoate is C46H82O2.
The synonyms of cholesteryl nonadecanoate are 19:0 Cholesterol ester and cholest-5-en-3beta-yl nonadecanoate.
The molecular weight of cholesteryl nonadecanoate is 667.1 g/mol.
The IUPAC name of cholesteryl nonadecanoate is [(3S,8S,9S,10R,13R,14S,17R)-10,13-dimethyl-17-[(2R)-6-methylheptan-2-yl]-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-yl] nonadecanoate.
The InChI of cholesteryl nonadecanoate is InChI=1S/C46H82O2/c1-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-26-44(47)48-39-31-33-45(5)38(35-39)27-28-40-42-30-29-41(37(4)25-23-24-36(2)3)46(42,6)34-32-43(40)45/h27,36-37,39-43H,7-26,28-35H2,1-6H3/t37-,39+,40+,41-,42+,43+,45+,46-/m1/s1.
The InChIKey of cholesteryl nonadecanoate is VHYWECIJXTVRSG-TVDLSCFRSA-N.
The canonical SMILES of cholesteryl nonadecanoate is CCCCCCCCCCCCCCCCCC(=O)OC1CCC2(C3CCC4(C(C3CC=C2C1)CCC4C(C)CCCC(C)C)C)C.
The CAS number of cholesteryl nonadecanoate is 25605-90-7.
Cholesteryl nonadecanoate has 0 hydrogen bond donor counts.
Cholesteryl nonadecanoate has 24 rotatable bond counts.