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5,6-TRANS-VITAMIN-D3

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5,6-TRANS-VITAMIN-D3
SpectraBase Compound ID 3a6jv2kUI7A
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-RWLOMQAJSA-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 E5tXCv0Dwfi
Name 5,6-TRANS-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-RWLOMQAJSA-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 384.646 g/mol
Solvent CDCl3
Source File Reference UWSI24148