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Cholecalciferol  (Vitamin D3)
SpectraBase Compound ID GdezsDXJfV4
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-/t21-,24+,25-,26+,27-/m1/s1
InChIKey QYSXJUFSXHHAJI-YRZJJWOYSA-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 GbYWieKiXKH
Name CHOLECALCIFEROL;VITAMIN-D3
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. 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-/t21-,24+,25-,26+,27-/m1/s1
InChIKey QYSXJUFSXHHAJI-YRZJJWOYSA-N
Literature Reference Author T.H.WILLIAMS,D.N.GREELEY,E.G.BAGGIOLINI,J.J.PARTRIDGE,S.J.SH IUEY,M.R.USKOKOVIC
Literature Reference Citation HELV.CHIM.ACTA,63,1609(1980)
Literature Reference DOI 10.1002/hlca.19800630630
Molecular Weight 384.646 g/mol
Solvent CD3OD
Source File Reference UWWR5107