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1a,25-Dihydroxy-cholecalciferol

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1a,25-Dihydroxy-cholecalciferol
SpectraBase Compound ID 35d8RSzmPzl
InChI InChI=1S/C27H44O3/c1-18(8-6-14-26(3,4)30)23-12-13-24-20(9-7-15-27(23,24)5)10-11-21-16-22(28)17-25(29)19(21)2/h10-11,18,22-25,28-30H,2,6-9,12-17H2,1,3-5H3/b20-10+,21-11-
InChIKey GMRQFYUYWCNGIN-KWJBEKLWSA-N
Mol Weight 416.6 g/mol
Molecular Formula C27H44O3
Exact Mass 416.329045 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID CVYU5zIaBJO
Name 1a,25-Dihydroxy-cholecalciferol
CAS Registry Number 32511-63-0
Copyright Copyright © 2002-2024 Wiley-VCH Verlag GmbH & Co. KGaA. All Rights Reserved.
Formula C27H44O3
InChI InChI=1S/C27H44O3/c1-18(8-6-14-26(3,4)30)23-12-13-24-20(9-7-15-27(23,24)5)10-11-21-16-22(28)17-25(29)19(21)2/h10-11,18,22-25,28-30H,2,6-9,12-17H2,1,3-5H3/b20-10+,21-11-
InChIKey GMRQFYUYWCNGIN-KWJBEKLWSA-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