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1a-Hydroxy-cholecalciferol

View entire compound with spectra: 1 NMR

1a-Hydroxy-cholecalciferol
SpectraBase Compound ID ntU5GYIIsT
InChI InChI=1S/C27H44O2/c1-18(2)8-6-9-19(3)24-13-14-25-21(10-7-15-27(24,25)5)11-12-22-16-23(28)17-26(29)20(22)4/h11-12,18-19,23-26,28-29H,4,6-10,13-17H2,1-3,5H3/b21-11+,22-12-
InChIKey OFHCOWSQAMBJIW-DWKIUPLPSA-N
Mol Weight 400.6 g/mol
Molecular Formula C27H44O2
Exact Mass 400.334131 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID Jtn7NF8XfL4
Name 1a-Hydroxy-cholecalciferol
CAS Registry Number 41294-56-8
Copyright Copyright © 2002-2024 Wiley-VCH Verlag GmbH & Co. KGaA. All Rights Reserved.
Formula C27H44O2
InChI InChI=1S/C27H44O2/c1-18(2)8-6-9-19(3)24-13-14-25-21(10-7-15-27(24,25)5)11-12-22-16-23(28)17-26(29)20(22)4/h11-12,18-19,23-26,28-29H,4,6-10,13-17H2,1-3,5H3/b21-11+,22-12-
InChIKey OFHCOWSQAMBJIW-DWKIUPLPSA-N
Instrument Name Varian XL-100
Literature Reference T.H. Williams, D.N. Greeley, E.G. Baggiolini, Helv. Chim. Acta 63, 1609 (1980).
NMR Standard TMS
Origin Chemical Concepts. A Wiley Division. Weinheim, Germany
Solvent CD3OD