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Cholest-4-en-26-al, 3-oxo-, cyclic 26-(ethylene acetal)

View entire compound with spectra: 1 NMR, and 1 MS (GC)

Cholest-4-en-26-al, 3-oxo-, cyclic 26-(ethylene acetal)
SpectraBase Compound ID IholKAII3K0
InChI InChI=1S/C29H46O3/c1-19(6-5-7-20(2)27-31-16-17-32-27)24-10-11-25-23-9-8-21-18-22(30)12-14-28(21,3)26(23)13-15-29(24,25)4/h18-20,23-27H,5-17H2,1-4H3
InChIKey ACAAWTFOGIRPBM-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 AhptTJkBtF1
Name Cholest-4-en-26-al, 3-oxo-, cyclic 26-(ethylene acetal)
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(6-5-7-20(2)27-31-16-17-32-27)24-10-11-25-23-9-8-21-18-22(30)12-14-28(21,3)26(23)13-15-29(24,25)4/h18-20,23-27H,5-17H2,1-4H3
InChIKey ACAAWTFOGIRPBM-UHFFFAOYSA-N
Molecular Weight 442.684 g/mol
SMILES C[C@]12[C@]([C@]3([C@](CC2)([C@]2(C)C(CC3)=CC(CC2)=O)[H])[H])(CC[C@@]1([C@@](CCCC(C)C1OCCO1)(C)[H])[H])[H]