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25-HYDROXYVITAMIN-D3
SpectraBase Compound ID G0TnNm3zwzQ
InChI InChI=1S/C27H44O2/c1-19-10-13-23(28)18-22(19)12-11-21-9-7-17-27(5)24(14-15-25(21)27)20(2)8-6-16-26(3,4)29/h11-12,20,23-25,28-29H,1,6-10,13-18H2,2-5H3/b21-11+,22-12-/t20-,23+,24-,25+,27-/m1/s1
InChIKey JWUBBDSIWDLEOM-DTOXIADCSA-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 5xb2y1iXFY8
Name 25-HYDROXY-CHOLECALCIFEROL;VITAMIN-D-DERIVATIVE
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C27H44O2
InChI InChI=1S/C27H44O2/c1-19-10-13-23(28)18-22(19)12-11-21-9-7-17-27(5)24(14-15-25(21)27)20(2)8-6-16-26(3,4)29/h11-12,20,23-25,28-29H,1,6-10,13-18H2,2-5H3/b21-11+,22-12-/t20-,23+,24-,25+,27-/m1/s1
InChIKey JWUBBDSIWDLEOM-DTOXIADCSA-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 400.645 g/mol
Solvent CD3OD
Source File Reference UWWR5109