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

View entire compound with spectra: 1 NMR

6b-Methyl-5a-cholestane-3b,5-diol 3-acetate
SpectraBase Compound ID 3yOWCY2kRAS
InChI InChI=1S/C30H52O3/c1-19(2)9-8-10-20(3)25-11-12-26-24-17-21(4)30(32)18-23(33-22(5)31)13-16-29(30,7)27(24)14-15-28(25,26)6/h19-21,23-27,32H,8-18H2,1-7H3
InChIKey IGAULGJWIRWJIY-UHFFFAOYSA-N
Mol Weight 460.7 g/mol
Molecular Formula C30H52O3
Exact Mass 460.391646 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 4cbbnffbIzt
Name 6b-Methyl-5a-cholestane-3b,5-diol 3-acetate
CAS Registry Number 14150-16-4
Copyright Copyright © 2002-2024 Wiley-VCH Verlag GmbH & Co. KGaA. All Rights Reserved.
Formula C30H52O3
InChI InChI=1S/C30H52O3/c1-19(2)9-8-10-20(3)25-11-12-26-24-17-21(4)30(32)18-23(33-22(5)31)13-16-29(30,7)27(24)14-15-28(25,26)6/h19-21,23-27,32H,8-18H2,1-7H3
InChIKey IGAULGJWIRWJIY-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