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2-BETA-BROMO-5-BETA-CHOLESTAN-3-ONE
SpectraBase Compound ID AhExDXHQ1oS
InChI InChI=1S/C27H45BrO/c1-17(2)7-6-8-18(3)21-11-12-22-20-10-9-19-15-25(29)24(28)16-27(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 DHZKAQAKUFROMZ-MUPFXJCVSA-N
Mol Weight 465.6 g/mol
Molecular Formula C27H45BrO
Exact Mass 464.265379 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID FfzQ89mCKZt
Name 2-BETA-BROMO-5-BETA-CHOLESTAN-3-ONE
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C27H45BrO
InChI InChI=1S/C27H45BrO/c1-17(2)7-6-8-18(3)21-11-12-22-20-10-9-19-15-25(29)24(28)16-27(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 DHZKAQAKUFROMZ-MUPFXJCVSA-N
Literature Reference Author V.DAVE,J.B.STOTHERS
Literature Reference Citation CAN.J.CHEM.,57,1550(1979)
Literature Reference DOI 10.1139/v79-253
Molecular Weight 465.558 g/mol
Solvent CDCl3
Source File Reference UWED1626