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2a,5a,6b-Tribromo-cholestan-3-one

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2a,5a,6b-Tribromo-cholestan-3-one
SpectraBase Compound ID 4Gr4X56XAYo
InChI InChI=1S/C27H43Br3O/c1-16(2)7-6-8-17(3)19-9-10-20-18-13-24(29)27(30)15-23(31)22(28)14-26(27,5)21(18)11-12-25(19,20)4/h16-22,24H,6-15H2,1-5H3/t17-,18+,19-,20+,21+,22-,24-,25-,26-,27+/m1/s1
InChIKey KLQRFPVQCXQIOJ-CGEQZYHSSA-N
Mol Weight 623.4 g/mol
Molecular Formula C27H43Br3O
Exact Mass 620.086405 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 3gkNE3a5ZJ9
Name 2-ALPHA,5-ALPHA,6-BETA-TRIBROMO-CHOLESTAN-3-ONE
Compound Number 1B
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C27H43Br3O
InChI InChI=1S/C27H43Br3O/c1-16(2)7-6-8-17(3)19-9-10-20-18-13-24(29)27(30)15-23(31)22(28)14-26(27,5)21(18)11-12-25(19,20)4/h16-22,24H,6-15H2,1-5H3/t17-,18+,19-,20+,21+,22-,24-,25-,26-,27+/m1/s1
InChIKey KLQRFPVQCXQIOJ-CGEQZYHSSA-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 623.350 g/mol
Solvent Unknown
Source File Reference UWCS11177