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4A-BETA-BROMO-3-OXA-A-HOMO-5-BETA-CHOLESTAN-4-ONE

View entire compound with spectra: 1 NMR

4A-BETA-BROMO-3-OXA-A-HOMO-5-BETA-CHOLESTAN-4-ONE
SpectraBase Compound ID 1yED8ejwGHf
InChI InChI=1S/C27H45BrO2/c1-17(2)7-6-8-18(3)20-11-12-21-19-9-10-23-24(28)25(29)30-16-15-27(23,5)22(19)13-14-26(20,21)4/h17-24H,6-16H2,1-5H3/t18-,19+,20-,21+,22+,23-,24-,26-,27-/m1/s1
InChIKey KWUOARJSJXQKCE-MHAMFSLQSA-N
Mol Weight 481.6 g/mol
Molecular Formula C27H45BrO2
Exact Mass 480.260294 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID JQ5iDE0sZ7T
Name 4A-BETA-BROMO-3-OXA-A-HOMO-5-BETA-CHOLESTAN-4-ONE
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C27H45BrO2
InChI InChI=1S/C27H45BrO2/c1-17(2)7-6-8-18(3)20-11-12-21-19-9-10-23-24(28)25(29)30-16-15-27(23,5)22(19)13-14-26(20,21)4/h17-24H,6-16H2,1-5H3/t18-,19+,20-,21+,22+,23-,24-,26-,27-/m1/s1
InChIKey KWUOARJSJXQKCE-MHAMFSLQSA-N
Literature Reference Author V.DAVE,J.B.STOTHERS,E.W.WARNHOFF
Literature Reference Citation CAN.J.CHEM.,58,2666(1980)
Literature Reference DOI 10.1139/v80-426
Molecular Weight 481.557 g/mol
Solvent CDCl3
Source File Reference UWED6007