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3β-chlorocholest-5-ene

View entire compound with spectra: 5 NMR, 3 FTIR, and 2 MS (GC)

3β-chlorocholest-5-ene
SpectraBase Compound ID 9ynmUcZD2g0
InChI InChI=1S/C27H45Cl/c1-18(2)7-6-8-19(3)23-11-12-24-22-10-9-20-17-21(28)13-15-26(20,4)25(22)14-16-27(23,24)5/h9,18-19,21-25H,6-8,10-17H2,1-5H3/t19-,21+,22+,23-,24+,25+,26+,27-/m1/s1
InChIKey OTVRYZXVVMZHHW-DPAQBDIFSA-N
Mol Weight 405.1 g/mol
Molecular Formula C27H45Cl
Exact Mass 404.320979 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID IOAKp5lCeF6
Name 3β-chlorocholest-5-ene
Source of Sample Tokyo Kasei Kogyo Company, Ltd., Tokyo, Japan
Copyright Copyright © 1980, 1981-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C27H45Cl
InChI InChI=1S/C27H45Cl/c1-18(2)7-6-8-19(3)23-11-12-24-22-10-9-20-17-21(28)13-15-26(20,4)25(22)14-16-27(23,24)5/h9,18-19,21-25H,6-8,10-17H2,1-5H3/t19-,21+,22+,23-,24+,25+,26+,27-/m1/s1
InChIKey OTVRYZXVVMZHHW-DPAQBDIFSA-N
Melting Point 97C
Molecular Weight 405.11
Solvent Chloroform-d; Reference=TMS Spectrometer= Varian CFT-20
Synonyms CHOLESTERYL CHLORIDE CHOLEST-5-ENE, 3B-CHLORO-,