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Cholest-5-en-19-al, 3-(acetyloxy)-, (3.beta.)-
SpectraBase Compound ID JgL7h7WpRSP
InChI InChI=1S/C29H46O3/c1-19(2)7-6-8-20(3)25-11-12-26-24-10-9-22-17-23(32-21(4)31)13-16-29(22,18-30)27(24)14-15-28(25,26)5/h9,18-20,23-27H,6-8,10-17H2,1-5H3
InChIKey FGMFMYIBGXDVFC-UHFFFAOYSA-N
Mol Weight 442.7 g/mol
Molecular Formula C29H46O3
Exact Mass 442.344695 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID H1SFFuAd3lV
Name Cholest-5-en-19-al, 3-(acetyloxy)-, (3.beta.)-
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 442.344695338 u
Formula C29H46O3
InChI InChI=1S/C29H46O3/c1-19(2)7-6-8-20(3)25-11-12-26-24-10-9-22-17-23(32-21(4)31)13-16-29(22,18-30)27(24)14-15-28(25,26)5/h9,18-20,23-27H,6-8,10-17H2,1-5H3
InChIKey FGMFMYIBGXDVFC-UHFFFAOYSA-N
Molecular Weight 442.684 g/mol
SMILES C(=O)[C@]12[C@@]3([C@]([C@]4([C@@](CC3)(C)[C@@]([C@@](CCCC(C)C)(C)[H])(CC4)[H])[H])(CC=C2C[C@](CC1)(OC(C)=O)[H])[H])[H]