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Cholestane-2,3-diol, 3-acetate
SpectraBase Compound ID 8joHDcg1mxF
InChI InChI=1S/C29H50O3/c1-18(2)8-7-9-19(3)23-12-13-24-22-11-10-21-16-27(32-20(4)30)26(31)17-29(21,6)25(22)14-15-28(23,24)5/h18-19,21-27,31H,7-17H2,1-6H3
InChIKey HFJDAIVNDINPBV-UHFFFAOYSA-N
Mol Weight 446.7 g/mol
Molecular Formula C29H50O3
Exact Mass 446.375995 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 3XjL49QvxhW
Name
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Formula C29H50O3
InChI InChI=1S/C29H50O3/c1-18(2)8-7-9-19(3)23-12-13-24-22-11-10-21-16-27(32-20(4)30)26(31)17-29(21,6)25(22)14-15-28(23,24)5/h18-19,21-27,31H,7-17H2,1-6H3
InChIKey HFJDAIVNDINPBV-UHFFFAOYSA-N
Molecular Weight 446.3747
SMILES OC1C(OC(C)=O)CC2CCC3C4CCC(C(CCCC(C)C)C)C4(C)CCC3C2(C)C1
SPLASH splash10-0a5l-9732000000-f3541cdd6fff5730ee01
Source of Spectrum Chemical Concepts, A Wiley Division, Weinheim, Germany