521-13-1 Purity
99%+
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Specification
The PubChem CID of cholesteryl acetate is 2723897.
The molecular formula of cholesteryl acetate is C29H48O2.
The molecular weight of cholesteryl acetate is 428.7 g/mol.
The IUPAC name of cholesteryl acetate 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] acetate.
The InChI of cholesteryl acetate is InChI=1S/C29H48O2/c1-19(2)8-7-9-20(3)25-12-13-26-24-11-10-22-18-23(31-21(4)30)14-16-28(22,5)27(24)15-17-29(25,26)6/h10,19-20,23-27H,7-9,11-18H2,1-6H3/t20-,23+,24-,25-,26+,27+,28+,29-/m1/s1.
The InChIKey of cholesteryl acetate is XUGISPSHIFXEHZ-VEVYEIKRSA-N.
The canonical SMILES of cholesteryl acetate is CC(C)CCCC(C)C1CCC2C1(CCC3C2CC=C4C3(CCC(C4)OC(=O)C)C)C.
The CAS number of cholesteryl acetate is 604-35-3.
The UNII of cholesteryl acetate is OTA9A3781T.
The ChEMBL ID of cholesteryl acetate is CHEMBL3138728.