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20-(17->18)-ABEO-1-ALPHA,25-DIHYDROXY-22,23-DIHOMO-21-NORVITAMIN-D3
SpectraBase Compound ID B9lFeTvNCJo
InChI InChI=1S/C28H46O3/c1-21-23(19-24(29)20-26(21)30)14-13-22-11-9-17-28(18-10-12-25(22)28)16-8-6-4-5-7-15-27(2,3)31/h13-14,24-26,29-31H,1,4-12,15-20H2,2-3H3/b22-13+,23-14-/t24-,25+,26+,28-/m1/s1
InChIKey GDWJAKWJJUSESL-WMCFCTBYSA-N
Mol Weight 430.7 g/mol
Molecular Formula C28H46O3
Exact Mass 430.344695 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID BdswhoRF6AH
Name 20-(17->18)-ABEO-1-ALPHA,25-DIHYDROXY-22,23-DIHOMO-21-NORVITAMIN-D3
Compound Number 2C
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C28H46O3
InChI InChI=1S/C28H46O3/c1-21-23(19-24(29)20-26(21)30)14-13-22-11-9-17-28(18-10-12-25(22)28)16-8-6-4-5-7-15-27(2,3)31/h13-14,24-26,29-31H,1,4-12,15-20H2,2-3H3/b22-13+,23-14-/t24-,25+,26+,28-/m1/s1
InChIKey GDWJAKWJJUSESL-WMCFCTBYSA-N
Literature Reference Author E.MOMAN,D.NICOLETTI,A.MOURINO
Literature Reference Citation J.ORG.CHEM.,69,4615(2004)
Literature Reference DOI 10.1021/jo0498664
Molecular Weight 430.671 g/mol
Solvent CDCl3
Source File Reference UWVN21997