For citations & permissions, please see: Citations & Permissions - Wiley Science Solutions*

*Links on SpectraBase are not permalinks.
9,10-SECO-CHOLESTA-5(10),8,25-TRIEN-6-YN-2-OXA-1-ONE;(VITAMIN-D-DERIVATIVE)
SpectraBase Compound ID LxfHZbVrGZk
InChI InChI=1S/C26H36O2/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/h10,19,23-24H,1,6-9,13-17H2,2-5H3/t19-,23-,24?,26-/m1/s1
InChIKey VBKXMIQFSMRADF-JUYOHMLUSA-N
Mol Weight 380.6 g/mol
Molecular Formula C26H36O2
Exact Mass 380.27153 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

View the Full Spectrum for FREE!

The full spectrum can only be viewed using a FREE account.

SpectraBase Spectrum ID KhIksYos17R
Name 9,10-SECO-CHOLESTA-5(10),8,25-TRIEN-6-YN-2-OXA-1-ONE;(VITAMIN-D-DERIVATIVE)
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C26H36O2
InChI InChI=1S/C26H36O2/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/h10,19,23-24H,1,6-9,13-17H2,2-5H3/t19-,23-,24?,26-/m1/s1
InChIKey VBKXMIQFSMRADF-JUYOHMLUSA-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 380.571 g/mol
Solvent CDCl3
Source File Reference UWWR5085