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DIHYDRO-TACHYSTEROL-(2)-PARA-NITROBENZOATE-ESTER;(VITAMIN-D-DERIVATIVE)
SpectraBase Compound ID 7YtIGCdv7YU
InChI InChI=1S/C35H49NO4/c1-23(2)24(3)9-10-26(5)32-19-20-33-27(8-7-21-35(32,33)6)12-13-29-22-31(18-11-25(29)4)40-34(37)28-14-16-30(17-15-28)36(38)39/h9-10,12-17,23-26,31-33H,7-8,11,18-22H2,1-6H3/b10-9+,27-12+,29-13+/t24?,25-,26+,31-,32+,33?,35+/m0/s1
InChIKey BTUISNIRYWZAOQ-BPJALXMISA-N
Mol Weight 547.8 g/mol
Molecular Formula C35H49NO4
Exact Mass 547.366159 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 7WmTkEMI9d
Name DIHYDRO-TACHYSTEROL-(2)-PARA-NITROBENZOATE-ESTER;(VITAMIN-D-DERIVATIVE)
CAS Registry Number 62743-70-8
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C35H49NO4
InChI InChI=1S/C35H49NO4/c1-23(2)24(3)9-10-26(5)32-19-20-33-27(8-7-21-35(32,33)6)12-13-29-22-31(18-11-25(29)4)40-34(37)28-14-16-30(17-15-28)36(38)39/h9-10,12-17,23-26,31-33H,7-8,11,18-22H2,1-6H3/b10-9+,27-12+,29-13+/t24?,25-,26+,31-,32+,33?,35+/m0/s1
InChIKey BTUISNIRYWZAOQ-BPJALXMISA-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 547.778 g/mol
Solvent CDCl3
Source File Reference UWWR5067