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6-Nitrocholesterol, benzoate

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

6-Nitrocholesterol, benzoate
SpectraBase Compound ID Dbtgd6lp49S
InChI InChI=1S/C34H49NO4/c1-22(2)10-9-11-23(3)27-14-15-28-26-21-31(35(37)38)30-20-25(39-32(36)24-12-7-6-8-13-24)16-18-34(30,5)29(26)17-19-33(27,28)4/h6-8,12-13,22-23,25-29H,9-11,14-21H2,1-5H3/t23-,25+,26+,27-,28+,29+,33-,34-/m1/s1
InChIKey WHOGDJBEXULXEK-FOJSKIMXSA-N
Mol Weight 535.8 g/mol
Molecular Formula C34H49NO4
Exact Mass 535.366159 g/mol

13C Nuclear Magnetic Resonance (NMR) Spectrum

13C Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID FqYMQnP8pHU
Name 6-Nitrocholesterol, benzoate
Source of Sample Aldrich Chemical Company, Inc., Milwaukee, Wisconsin
Copyright Copyright © 1980, 1981-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C34H49NO4
InChI InChI=1S/C34H49NO4/c1-22(2)10-9-11-23(3)27-14-15-28-26-21-31(35(37)38)30-20-25(39-32(36)24-12-7-6-8-13-24)16-18-34(30,5)29(26)17-19-33(27,28)4/h6-8,12-13,22-23,25-29H,9-11,14-21H2,1-5H3/t23-,25+,26+,27-,28+,29+,33-,34-/m1/s1
InChIKey WHOGDJBEXULXEK-FOJSKIMXSA-N
Molecular Weight 535.77
Solvent Chloroform-d; Reference=TMS Spectrometer= Varian CFT-20
Synonyms CHOLESTEROL, 6-NITRO-, BENZOATE