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6b-Chloro-5a-cholestane-3b,5-diol 3-acetate

View entire compound with spectra: 1 NMR

6b-Chloro-5a-cholestane-3b,5-diol 3-acetate
SpectraBase Compound ID JwEb1FGhKjR
InChI InChI=1S/C29H49ClO3/c1-18(2)8-7-9-19(3)23-10-11-24-22-16-26(30)29(32)17-21(33-20(4)31)12-15-28(29,6)25(22)13-14-27(23,24)5/h18-19,21-26,32H,7-17H2,1-6H3
InChIKey KWHDUNLIEHDJHD-UHFFFAOYSA-N
Mol Weight 481.2 g/mol
Molecular Formula C29H49ClO3
Exact Mass 480.337023 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 3aqA6ZwUDND
Name 6b-Chloro-5a-cholestane-3b,5-diol 3-acetate
CAS Registry Number 1858-01-1
Copyright Copyright © 2002-2024 Wiley-VCH Verlag GmbH & Co. KGaA. All Rights Reserved.
Formula C29H49ClO3
InChI InChI=1S/C29H49ClO3/c1-18(2)8-7-9-19(3)23-10-11-24-22-16-26(30)29(32)17-21(33-20(4)31)12-15-28(29,6)25(22)13-14-27(23,24)5/h18-19,21-26,32H,7-17H2,1-6H3
InChIKey KWHDUNLIEHDJHD-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 CDCl3