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25S,26-Dihydroxy-cholecalciferol

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25S,26-Dihydroxy-cholecalciferol
SpectraBase Compound ID AJNqpaTKSU9
InChI InChI=1S/C27H44O3/c1-19-9-12-23(29)17-22(19)11-10-21-8-6-16-27(4)24(13-14-25(21)27)20(2)7-5-15-26(3,30)18-28/h10-11,20,23-25,28-30H,1,5-9,12-18H2,2-4H3/b21-10+,22-11-
InChIKey QOWCBCXATJITSI-STRHEEPSSA-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 KjfdxyUXbJd
Name 25S,26-Dihydroxy-cholecalciferol
CAS Registry Number 29261-12-9
Copyright Copyright © 2002-2024 Wiley-VCH Verlag GmbH & Co. KGaA. All Rights Reserved.
Formula C27H44O3
InChI InChI=1S/C27H44O3/c1-19-9-12-23(29)17-22(19)11-10-21-8-6-16-27(4)24(13-14-25(21)27)20(2)7-5-15-26(3,30)18-28/h10-11,20,23-25,28-30H,1,5-9,12-18H2,2-4H3/b21-10+,22-11-
InChIKey QOWCBCXATJITSI-STRHEEPSSA-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