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Cholecalciferol

View entire compound with spectra: 17 NMR

Cholecalciferol
SpectraBase Compound ID FG3CljdwhMY
InChI InChI=1S/C27H44O/c1-19(2)8-6-9-21(4)25-15-16-26-22(10-7-17-27(25,26)5)12-13-23-18-24(28)14-11-20(23)3/h12-13,19,21,24-26,28H,3,6-11,14-18H2,1-2,4-5H3/b22-12+,23-13-
InChIKey QYSXJUFSXHHAJI-GGULSIJQSA-N
Mol Weight 384.6 g/mol
Molecular Formula C27H44O
Exact Mass 384.339216 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID Bh4eKtyTIL7
Name Cholecalciferol
CAS Registry Number 67-97-0
Copyright Copyright © 2002-2024 Wiley-VCH Verlag GmbH & Co. KGaA. All Rights Reserved.
Formula C27H44O
InChI InChI=1S/C27H44O/c1-19(2)8-6-9-21(4)25-15-16-26-22(10-7-17-27(25,26)5)12-13-23-18-24(28)14-11-20(23)3/h12-13,19,21,24-26,28H,3,6-11,14-18H2,1-2,4-5H3/b22-12+,23-13-
InChIKey QYSXJUFSXHHAJI-GGULSIJQSA-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