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3-[(2-Dioxan-2-yl)ethyl]-5.alpha.-cholestane

View entire compound with spectra: 3 MS (GC)

3-[(2-Dioxan-2-yl)ethyl]-5.alpha.-cholestane
SpectraBase Compound ID LdqyQuR4kM7
InChI InChI=1S/C33H58O2/c1-23(2)8-6-9-24(3)28-13-14-29-27-12-11-26-22-25(10-15-31-34-20-7-21-35-31)16-18-32(26,4)30(27)17-19-33(28,29)5/h23-31H,6-22H2,1-5H3/t24-,25?,26+,27+,28-,29+,30+,32+,33-/m1/s1
InChIKey REYZAGZYLKPTDC-GKUWVUFESA-N
Mol Weight 486.8 g/mol
Molecular Formula C33H58O2
Exact Mass 486.443681 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 1EsbqGH8yNK
Name 3-[(2-Dioxan-2-yl)ethyl]-5.alpha.-cholestane
Alternate Name(s) 3-[(2-Dioxan-2-yl)ethyl]-5.alpha.-cholestane isomer (5alpha)-3-[2-(1,3-dioxan-2-yl)ethyl]cholestane
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C33H58O2
InChI InChI=1S/C33H58O2/c1-23(2)8-6-9-24(3)28-13-14-29-27-12-11-26-22-25(10-15-31-34-20-7-21-35-31)16-18-32(26,4)30(27)17-19-33(28,29)5/h23-31H,6-22H2,1-5H3/t24-,25?,26+,27+,28-,29+,30+,32+,33-/m1/s1
InChIKey REYZAGZYLKPTDC-GKUWVUFESA-N
Molecular Weight 486.825 g/mol
SMILES [C@@]12([C@]([C@@]3(CC[C@@]4([C@@]([C@]3(CC2)[H])(CCC(CCC2OCCCO2)C4)C)[H])[H])(CC[C@@]1([C@@](CCCC(C)C)(C)[H])[H])[H])C
SPLASH splash10-000i-9020300000-75cbb553a3b8eb143745
Source of Spectrum F-50-12641-16
Wiley ID 789981