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

View entire compound with spectra: 1 NMR

6b-Chloro-5a-cholestane-3b,5-diol diacetate
SpectraBase Compound ID CpNw2o9pYit
InChI InChI=1S/C31H51ClO4/c1-19(2)9-8-10-20(3)25-11-12-26-24-17-28(32)31(36-22(5)34)18-23(35-21(4)33)13-16-30(31,7)27(24)14-15-29(25,26)6/h19-20,23-28H,8-18H2,1-7H3
InChIKey KWUMBMBSDUWCSF-UHFFFAOYSA-N
Mol Weight 523.2 g/mol
Molecular Formula C31H51ClO4
Exact Mass 522.347588 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID B2EPBFEak7w
Name 6b-Chloro-5a-cholestane-3b,5-diol diacetate
CAS Registry Number 5295-78-3
Copyright Copyright © 2002-2024 Wiley-VCH Verlag GmbH & Co. KGaA. All Rights Reserved.
Formula C31H51ClO4
InChI InChI=1S/C31H51ClO4/c1-19(2)9-8-10-20(3)25-11-12-26-24-17-28(32)31(36-22(5)34)18-23(35-21(4)33)13-16-30(31,7)27(24)14-15-29(25,26)6/h19-20,23-28H,8-18H2,1-7H3
InChIKey KWUMBMBSDUWCSF-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