John Wiley & Sons, Inc. SpectraBase; SpectraBase Compound ID=116sfsoJ1G5 SpectraBase Spectrum ID=JNkf29ZqrKF

(accessed ).
2-ALPHA-BROMO-4-OXA-A-HOMO-5-ALPHA-CHOLESTAN-3-ONE
SpectraBase Compound ID 116sfsoJ1G5
InChI InChI=1S/C27H45BrO2/c1-17(2)7-6-8-18(3)21-11-12-22-20-10-9-19-16-30-25(29)24(28)15-27(19,5)23(20)13-14-26(21,22)4/h17-24H,6-16H2,1-5H3/t18-,19+,20+,21-,22+,23+,24-,26-,27+/m1/s1
InChIKey HOYXWBDFHAYDDT-RRFIWRICSA-N
Mol Weight 481.6 g/mol
Molecular Formula C27H45BrO2
Exact Mass 480.260292 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID JNkf29ZqrKF
Name 2-ALPHA-BROMO-4-OXA-A-HOMO-5-ALPHA-CHOLESTAN-3-ONE
Copyright Copyright © 2016-2021 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)21-11-12-22-20-10-9-19-16-30-25(29)24(28)15-27(19,5)23(20)13-14-26(21,22)4/h17-24H,6-16H2,1-5H3/t18-,19+,20+,21-,22+,23+,24-,26-,27+/m1/s1
InChIKey HOYXWBDFHAYDDT-RRFIWRICSA-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 UWED6004
SpectraBase Batch ID JSuGsSnYIY6