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(3beta,5alpha)-Cholestan-3-Yl Acetate
[CAS# 1255-88-5]

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Identification
Name (3beta,5alpha)-Cholestan-3-Yl Acetate
Molecular Structure CAS#: 1255-88-5, (3beta,5alpha)-Cholestan-3-Yl Acetate
Molecular Formula C29H50O2
Molecular Weight 430.71
CAS Registry Number 1255-88-5
SMILES CC(=O)O[C@H]4CC[C@@]2(C)[C@@H](CC[C@H]1[C@@H]3CC[C@H]([C@H](C)CCCC(C)C)[C@@]3(C)CC[C@@H]12)C4
InChI 1S/C29H50O2/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/h19-20,22-27H,7-18H2,1-6H3/t20-,22+,23+,24+,25-,26+,27+,28+,29-/m1/s1
InChIKey PHLIUSDPFOUISN-SPTWOZHASA-N
Properties
Density 0.986g/cm3 (Cal.)
Boiling point 446.344°C at 760 mmHg (Cal.)
Flash point 249.847°C (Cal.)
Refractive index 1.507 (Cal.)
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