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25-HYDROXY-5,6-TRANS-VITAMIN-D3

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25-HYDROXY-5,6-TRANS-VITAMIN-D3
SpectraBase Compound ID 45xeIcOyHpy
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-PDIKEVGMSA-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 LpqMAtdat3C
Name 25-HYDROXY-5,6-TRANS-VITAMIN-D3
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-PDIKEVGMSA-N
Literature Reference Author W.H.OKAMURA,G.D.ZHU,D.K.HILL,R.J.THOMAS,K.RINGE,D.B.BORCHARD T,A.W.NORMAN,L.J.MUE
Literature Reference Citation J.ORG.CHEM.,67,1637(2002)
Literature Reference DOI 10.1021/jo011096y
Molecular Weight 400.645 g/mol
Solvent CDCl3
Source File Reference UWSI24151