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5a-Cholestane-3a,4b-diol-4b-acetate

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5a-Cholestane-3a,4b-diol-4b-acetate
SpectraBase Compound ID Af3UEZv7BTE
InChI InChI=1S/C29H50O3/c1-18(2)8-7-9-19(3)22-12-13-23-21-10-11-25-27(32-20(4)30)26(31)15-17-29(25,6)24(21)14-16-28(22,23)5/h18-19,21-27,31H,7-17H2,1-6H3
InChIKey NSDDGWRYDMVUKC-UHFFFAOYSA-N
Mol Weight 446.7 g/mol
Molecular Formula C29H50O3
Exact Mass 446.375995 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID IA429QTb9A3
Name 5a-Cholestane-3a,4b-diol-4b-acetate
CAS Registry Number 61010-52-4
Copyright Copyright © 2002-2024 Wiley-VCH Verlag GmbH & Co. KGaA. All Rights Reserved.
Formula C29H50O3
InChI InChI=1S/C29H50O3/c1-18(2)8-7-9-19(3)22-12-13-23-21-10-11-25-27(32-20(4)30)26(31)15-17-29(25,6)24(21)14-16-28(22,23)5/h18-19,21-27,31H,7-17H2,1-6H3
InChIKey NSDDGWRYDMVUKC-UHFFFAOYSA-N
Instrument Name Varian XL-100
Literature Reference C.L. Van Antwerp, H. Eggert, C. Djerassi, J. Org. Chem. 42, 789 (1977).
NMR Standard TMS
Origin Chemical Concepts. A Wiley Division. Weinheim, Germany
Solvent CDCl3