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3-(Acetyloxy)-5-hydroxycholestan-6-yl acetate

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3-(Acetyloxy)-5-hydroxycholestan-6-yl acetate
SpectraBase Compound ID 20v5lVnRh4Y
InChI InChI=1S/C31H52O5/c1-19(2)9-8-10-20(3)25-11-12-26-24-17-28(36-22(5)33)31(34)18-23(35-21(4)32)13-16-30(31,7)27(24)14-15-29(25,26)6/h19-20,23-28,34H,8-18H2,1-7H3
InChIKey FSOSLUNLZBKXMA-UHFFFAOYSA-N
Mol Weight 504.8 g/mol
Molecular Formula C31H52O5
Exact Mass 504.381475 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 1oYiYo4P9IH
Name 5a-Cholestane-3b,5,6b-triol 3,6-diacetate
CAS Registry Number 1260-68-0
Copyright Copyright © 2002-2024 Wiley-VCH Verlag GmbH & Co. KGaA. All Rights Reserved.
Formula C31H52O5
InChI InChI=1S/C31H52O5/c1-19(2)9-8-10-20(3)25-11-12-26-24-17-28(36-22(5)33)31(34)18-23(35-21(4)32)13-16-30(31,7)27(24)14-15-29(25,26)6/h19-20,23-28,34H,8-18H2,1-7H3
InChIKey FSOSLUNLZBKXMA-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