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Cholest-7-en-6-one, 3-(acetyloxy)-, (3.beta.,5.alpha.)-

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Cholest-7-en-6-one, 3-(acetyloxy)-, (3.beta.,5.alpha.)-
SpectraBase Compound ID AKx74Sa3Vub
InChI InChI=1S/C29H46O3/c1-18(2)8-7-9-19(3)23-10-11-24-22-17-27(31)26-16-21(32-20(4)30)12-14-29(26,6)25(22)13-15-28(23,24)5/h17-19,21,23-26H,7-16H2,1-6H3
InChIKey VICTWULSMNGBHU-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 VhFRfCoWoM
Name Cholest-7-en-6-one, 3-(acetyloxy)-, (3.beta.,5.alpha.)-
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/c1-18(2)8-7-9-19(3)23-10-11-24-22-17-27(31)26-16-21(32-20(4)30)12-14-29(26,6)25(22)13-15-28(23,24)5/h17-19,21,23-26H,7-16H2,1-6H3
InChIKey VICTWULSMNGBHU-UHFFFAOYSA-N
Molecular Weight 442.684 g/mol
SMILES C[C@]12[C@@]3(C([C@]4([C@@](CC3)(C)[C@@]([C@@](CCCC(C)C)(C)[H])(CC4)[H])[H])=CC([C@]2(C[C@](CC1)(OC(C)=O)[H])[H])=O)[H]