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3b-Acetoxy-4,4-dimethyl-5a-cholestane

View entire compound with spectra: 1 NMR

3b-Acetoxy-4,4-dimethyl-5a-cholestane
SpectraBase Compound ID KV5Kh7qIxta
InChI InChI=1S/C31H54O2/c1-20(2)10-9-11-21(3)24-13-14-25-23-12-15-27-29(5,6)28(33-22(4)32)17-19-31(27,8)26(23)16-18-30(24,25)7/h20-21,23-28H,9-19H2,1-8H3
InChIKey NRAWTYCKLCALTN-UHFFFAOYSA-N
Mol Weight 458.8 g/mol
Molecular Formula C31H54O2
Exact Mass 458.412381 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 5YxMcyhG3rV
Name 3b-Acetoxy-4,4-dimethyl-5a-cholestane
CAS Registry Number 2691-28-3
Copyright Copyright © 2002-2025 Wiley-VCH GmbH. All Rights Reserved.
Formula C31H54O2
InChI InChI=1S/C31H54O2/c1-20(2)10-9-11-21(3)24-13-14-25-23-12-15-27-29(5,6)28(33-22(4)32)17-19-31(27,8)26(23)16-18-30(24,25)7/h20-21,23-28H,9-19H2,1-8H3
InChIKey NRAWTYCKLCALTN-UHFFFAOYSA-N
Instrument Name Jeol FX-90
Literature Reference T. Iida, M. Kikuchi, T. Ishikawa, Org. Magn. Resonance 19, 228 (1982).
NMR Standard TMS
Origin Chemical Concepts. A Wiley Division. Weinheim, Germany
Solvent CDCl3