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6-Nitrocholest-5-en-3β-ol, acetate

View entire compound with spectra: 2 NMR, and 1 FTIR

6-Nitrocholest-5-en-3β-ol, acetate
SpectraBase Compound ID 5lgJ0SQ2PoN
InChI InChI=1S/C29H47NO4/c1-18(2)8-7-9-19(3)23-10-11-24-22-17-27(30(32)33)26-16-21(34-20(4)31)12-14-29(26,6)25(22)13-15-28(23,24)5/h18-19,21-25H,7-17H2,1-6H3/t19-,21+,22+,23-,24+,25+,28-,29-/m1/s1
InChIKey HBNDZPJHNAAEAB-XGRWYXQASA-N
Mol Weight 473.7 g/mol
Molecular Formula C29H47NO4
Exact Mass 473.350509 g/mol

13C Nuclear Magnetic Resonance (NMR) Spectrum

13C Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID 4BNgSJnP0zB
Name 6-Nitrocholest-5-en-3β-ol, acetate
Source of Sample Aldrich Chemical Company, Inc., Milwaukee, Wisconsin
Comments Tentative assignment
Copyright Copyright © 1980, 1981-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C29H47NO4
InChI InChI=1S/C29H47NO4/c1-18(2)8-7-9-19(3)23-10-11-24-22-17-27(30(32)33)26-16-21(34-20(4)31)12-14-29(26,6)25(22)13-15-28(23,24)5/h18-19,21-25H,7-17H2,1-6H3/t19-,21+,22+,23-,24+,25+,28-,29-/m1/s1
InChIKey HBNDZPJHNAAEAB-XGRWYXQASA-N
Molecular Weight 573.70
Solvent Chloroform-d; Reference=TMS Spectrometer= Varian CFT-20
Synonyms CHOLESTEROL, 6-NITRO-, ACETATE CHOLEST-5-EN-3B-OL, 6-NITRO-, ACETATE