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3b-Acetoxy-cholestane

View entire compound with spectra: 15 NMR, and 6 MS (GC)

3b-Acetoxy-cholestane
SpectraBase Compound ID 48ZWLvA0v98
InChI InChI=1S/C29H50O2/c1-19(2)8-7-9-20(3)25-12-13-26-24-11-10-22-18-23(31-21(4)30)14-16-28(22,5)27(24)15-17-29(25,26)6/h19-20,22-27H,7-18H2,1-6H3
InChIKey PHLIUSDPFOUISN-UHFFFAOYSA-N
Mol Weight 430.7 g/mol
Molecular Formula C29H50O2
Exact Mass 430.381081 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID GHBT4m0jjRG
Name 3b-Acetoxy-cholestane
CAS Registry Number 42995-53-9
Comments REASSIGNED BY STOTHERS
Copyright Copyright © 2002-2024 Wiley-VCH Verlag GmbH & Co. KGaA. All Rights Reserved.
Formula C29H50O2
InChI InChI=1S/C29H50O2/c1-19(2)8-7-9-20(3)25-12-13-26-24-11-10-22-18-23(31-21(4)30)14-16-28(22,5)27(24)15-17-29(25,26)6/h19-20,22-27H,7-18H2,1-6H3
InChIKey PHLIUSDPFOUISN-UHFFFAOYSA-N
Literature Reference J.W. Blunt, J.B. Stothers, Org. Magn. Resonance 9, 439 (1977).
NMR Standard TMS
Origin Chemical Concepts. A Wiley Division. Weinheim, Germany
Solvent Mixture