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2-NOR-1,3-SECO-25-DEHYDRO-1-HYDROXY-VITAMIN-D3
SpectraBase Compound ID LX3NBSuzFHS
InChI InChI=1S/C26H42O2/c1-19(2)8-6-9-20(3)24-13-14-25-23(10-7-16-26(24,25)5)12-11-22(15-17-27)21(4)18-28/h11-12,20,24-25,27-28H,1,4,6-10,13-18H2,2-3,5H3/b22-11-,23-12+/t20-,24-,25?,26-/m1/s1
InChIKey DWUWFSBSGQDTEC-RLAGJFDASA-N
Mol Weight 386.6 g/mol
Molecular Formula C26H42O2
Exact Mass 386.318481 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID ruObiNOVq
Name 2-NOR-1,3-SECO-25-DEHYDRO-1-HYDROXY-VITAMIN-D3
CAS Registry Number 113490-31-6
Compound Number 37
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C26H42O2
InChI InChI=1S/C26H42O2/c1-19(2)8-6-9-20(3)24-13-14-25-23(10-7-16-26(24,25)5)12-11-22(15-17-27)21(4)18-28/h11-12,20,24-25,27-28H,1,4,6-10,13-18H2,2-3,5H3/b22-11-,23-12+/t20-,24-,25?,26-/m1/s1
InChIKey DWUWFSBSGQDTEC-RLAGJFDASA-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 386.618 g/mol
Solvent CDCl3
Source File Reference UWWR5087