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2-BETA-BROMO-CHOLEST-5(6)-EN-3-ONE
SpectraBase Compound ID Egz3H86b6x8
InChI InChI=1S/C27H43BrO/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/h9,17-18,20-24H,6-8,10-16H2,1-5H3/t18-,20+,21-,22+,23+,24+,26-,27+/m1/s1
InChIKey SCYJTQAIJDMROP-SJJQXVGPSA-N
Mol Weight 463.5 g/mol
Molecular Formula C27H43BrO
Exact Mass 462.249729 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 6CtgunydftZ
Name 2-BETA-BROMO-CHOLEST-5(6)-EN-3-ONE
Compound Number 2C
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C27H43BrO
InChI InChI=1S/C27H43BrO/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/h9,17-18,20-24H,6-8,10-16H2,1-5H3/t18-,20+,21-,22+,23+,24+,26-,27+/m1/s1
InChIKey SCYJTQAIJDMROP-SJJQXVGPSA-N
Literature Reference Author J.ROMER,S.SCHELLER,G.GROSSMANN
Literature Reference Citation J.PRAKT.CHEM.,326,273(1984)
Literature Reference DOI 10.1002/prac.19843260212
Molecular Weight 463.542 g/mol
Solvent Unknown
Source File Reference UWCS11181