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EPI-CHOLESTEROL-PARA-NITROBENZOATE-ESTER;(VITAMIN-D-DERIVATIVE)
SpectraBase Compound ID 6MGYnKKZQ4r
InChI InChI=1S/C34H49NO4/c1-22(2)7-6-8-23(3)29-15-16-30-28-14-11-25-21-27(17-19-33(25,4)31(28)18-20-34(29,30)5)39-32(36)24-9-12-26(13-10-24)35(37)38/h9-13,22-23,27-31H,6-8,14-21H2,1-5H3/t23-,27-,28+,29-,30+,31+,33+,34-/m1/s1
InChIKey MCSXGHLTXBACQB-VTVUIIHSSA-N
Mol Weight 535.8 g/mol
Molecular Formula C34H49NO4
Exact Mass 535.366159 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 49lYqmw493U
Name EPI-CHOLESTEROL-PARA-NITROBENZOATE-ESTER;(VITAMIN-D-DERIVATIVE)
CAS Registry Number 62743-73-1
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C34H49NO4
InChI InChI=1S/C34H49NO4/c1-22(2)7-6-8-23(3)29-15-16-30-28-14-11-25-21-27(17-19-33(25,4)31(28)18-20-34(29,30)5)39-32(36)24-9-12-26(13-10-24)35(37)38/h9-13,22-23,27-31H,6-8,14-21H2,1-5H3/t23-,27-,28+,29-,30+,31+,33+,34-/m1/s1
InChIKey MCSXGHLTXBACQB-VTVUIIHSSA-N
Literature Reference Author E.BERMAN,Z.LUZ,Y.MAZUR,M.SHEVES
Literature Reference Citation J.ORG.CHEM.,42,3325(1977)
Literature Reference DOI 10.1021/jo00441a001
Molecular Weight 535.767 g/mol
Solvent CDCl3
Source File Reference UWWR5073