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5a-Cholestane-3b,5,6a-triol triacetate

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5a-Cholestane-3b,5,6a-triol triacetate
SpectraBase Compound ID 23Gr5WlQxac
InChI InChI=1S/C33H54O6/c1-20(2)10-9-11-21(3)27-12-13-28-26-18-30(38-23(5)35)33(39-24(6)36)19-25(37-22(4)34)14-17-32(33,8)29(26)15-16-31(27,28)7/h20-21,25-30H,9-19H2,1-8H3
InChIKey NRIMSGFXGPTUAF-UHFFFAOYSA-N
Mol Weight 546.8 g/mol
Molecular Formula C33H54O6
Exact Mass 546.392039 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID WRQzdoRXQf
Name 5a-Cholestane-3b,5,6a-triol triacetate
CAS Registry Number 2763-37-3
Copyright Copyright © 2002-2024 Wiley-VCH Verlag GmbH & Co. KGaA. All Rights Reserved.
Formula C33H54O6
InChI InChI=1S/C33H54O6/c1-20(2)10-9-11-21(3)27-12-13-28-26-18-30(38-23(5)35)33(39-24(6)36)19-25(37-22(4)34)14-17-32(33,8)29(26)15-16-31(27,28)7/h20-21,25-30H,9-19H2,1-8H3
InChIKey NRIMSGFXGPTUAF-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