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4,4-Dimethyl-5a-cholestan-3-one

View entire compound with spectra: 1 NMR

4,4-Dimethyl-5a-cholestan-3-one
SpectraBase Compound ID 1MDwAnNSyyC
InChI InChI=1S/C29H50O/c1-19(2)9-8-10-20(3)22-12-13-23-21-11-14-25-27(4,5)26(30)16-18-29(25,7)24(21)15-17-28(22,23)6/h19-25H,8-18H2,1-7H3/t20-,21+,22-,23+,24+,25+,28-,29-/m1/s1
InChIKey QVGZIULKEGAMON-YLFAAKNDSA-N
Mol Weight 414.7 g/mol
Molecular Formula C29H50O
Exact Mass 414.386166 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 3dDBw2y4U8C
Name 4,4-DIMETHYL-5-ALPHA-CHOLESTAN-3-ONE
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C29H50O
InChI InChI=1S/C29H50O/c1-19(2)9-8-10-20(3)22-12-13-23-21-11-14-25-27(4,5)26(30)16-18-29(25,7)24(21)15-17-28(22,23)6/h19-25H,8-18H2,1-7H3/t20-,21+,22-,23+,24+,25+,28-,29-/m1/s1
InChIKey QVGZIULKEGAMON-YLFAAKNDSA-N
Literature Reference Author T.IIDA,M.KIKUCHI,T.ISHIKAWA
Literature Reference Citation ORG.MAGN.RES.,19,228(1982)
Literature Reference DOI 10.1002/mrc.1270190415
Molecular Weight 414.715 g/mol
Solvent CDCl3
Source File Reference UNIW3384