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4b-Methyl-5a-cholestan-3-one
SpectraBase Compound ID L3PJfwDnCKw
InChI InChI=1S/C28H48O/c1-18(2)8-7-9-19(3)22-12-13-24-21-10-11-23-20(4)26(29)15-17-28(23,6)25(21)14-16-27(22,24)5/h18-25H,7-17H2,1-6H3/t19-,20-,21+,22-,23+,24+,25+,27-,28+/m1/s1
InChIKey CMDFMNRXDJEXBA-ULCTZSOESA-N
Mol Weight 400.7 g/mol
Molecular Formula C28H48O
Exact Mass 400.370516 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 3Bbd0IpbwAu
Name 4-BETA-METHYL-5-ALPHA-CHOLESTAN-3-ONE
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C28H48O
InChI InChI=1S/C28H48O/c1-18(2)8-7-9-19(3)22-12-13-24-21-10-11-23-20(4)26(29)15-17-28(23,6)25(21)14-16-27(22,24)5/h18-25H,7-17H2,1-6H3/t19-,20-,21+,22-,23+,24+,25+,27-,28+/m1/s1
InChIKey CMDFMNRXDJEXBA-ULCTZSOESA-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 400.689 g/mol
Solvent CDCl3
Source File Reference UNIW3383