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(6Z)-9,10-SECO-CHOLESTA-5(10),6,8,25-TETRAEN-2-OXA-1-ONE;(VITAMIN-D-DERIVATIVE)
SpectraBase Compound ID 8nGrwzmPB7X
InChI InChI=1S/C26H38O2/c1-18(2)8-6-9-19(3)23-13-14-24-22(10-7-16-26(23,24)5)12-11-21-15-17-28-25(27)20(21)4/h10-12,19,23-24H,1,6-9,13-17H2,2-5H3/b12-11-/t19-,23-,24?,26-/m1/s1
InChIKey XMGGRNPWTVGIQO-LRAYGQOYSA-N
Mol Weight 382.6 g/mol
Molecular Formula C26H38O2
Exact Mass 382.28718 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID EELccsdHjQi
Name (6Z)-9,10-SECO-CHOLESTA-5(10),6,8,25-TETRAEN-2-OXA-1-ONE;(VITAMIN-D-DERIVATIVE)
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C26H38O2
InChI InChI=1S/C26H38O2/c1-18(2)8-6-9-19(3)23-13-14-24-22(10-7-16-26(23,24)5)12-11-21-15-17-28-25(27)20(21)4/h10-12,19,23-24H,1,6-9,13-17H2,2-5H3/b12-11-/t19-,23-,24?,26-/m1/s1
InChIKey XMGGRNPWTVGIQO-LRAYGQOYSA-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 382.587 g/mol
Solvent CDCl3
Source File Reference UWWR5086