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2-NOR-1,3-SECO-1,25-DIHYDROXY-VITAMIN-D3
SpectraBase Compound ID 1bl9MptXgru
InChI InChI=1S/C26H44O3/c1-19(8-6-15-25(3,4)29)23-12-13-24-22(9-7-16-26(23,24)5)11-10-21(14-17-27)20(2)18-28/h10-11,19,23-24,27-29H,2,6-9,12-18H2,1,3-5H3/b21-10-,22-11+/t19-,23-,24?,26-/m1/s1
InChIKey PDCWVQZLMVLGLG-JMFNMZOFSA-N
Mol Weight 404.6 g/mol
Molecular Formula C26H44O3
Exact Mass 404.329045 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 8ewbi7gIb7Y
Name 2-NOR-1,3-SECO-1,25-DIHYDROXY-VITAMIN-D3
CAS Registry Number 113490-37-2
Compound Number 8
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C26H44O3
InChI InChI=1S/C26H44O3/c1-19(8-6-15-25(3,4)29)23-12-13-24-22(9-7-16-26(23,24)5)11-10-21(14-17-27)20(2)18-28/h10-11,19,23-24,27-29H,2,6-9,12-18H2,1,3-5H3/b21-10-,22-11+/t19-,23-,24?,26-/m1/s1
InChIKey PDCWVQZLMVLGLG-JMFNMZOFSA-N
Literature Reference Author S.A.BARRACK,R.A.GIBBS,W.H.OKAMURA
Literature Reference Citation J.ORG.CHEM.,53,1790(1988)
Literature Reference DOI 10.1021/jo00243a035
Molecular Weight 404.634 g/mol
Solvent CDCl3
Source File Reference UWWR5089