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3-BETA,5-ALPHA,25-TRIHYDROXY-(24S)-METHYL-CHOLESTAN-6-ONE
SpectraBase Compound ID EGcwjCr2FGB
InChI InChI=1S/C28H48O4/c1-17(7-8-18(2)25(3,4)31)21-9-10-22-20-15-24(30)28(32)16-19(29)11-14-27(28,6)23(20)12-13-26(21,22)5/h17-23,29,31-32H,7-16H2,1-6H3/t17-,18+,19+,20+,21-,22+,23+,26-,27-,28+/m1/s1
InChIKey IXFQYNIGWDSRIZ-ZRYMFBHMSA-N
Mol Weight 448.7 g/mol
Molecular Formula C28H48O4
Exact Mass 448.35526 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID E8NO5qDUaF2
Name 3-BETA,5-ALPHA,25-TRIHYDROXY-(24S)-METHYL-CHOLESTAN-6-ONE
Compound Number 6
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C28H48O4
InChI InChI=1S/C28H48O4/c1-17(7-8-18(2)25(3,4)31)21-9-10-22-20-15-24(30)28(32)16-19(29)11-14-27(28,6)23(20)12-13-26(21,22)5/h17-23,29,31-32H,7-16H2,1-6H3/t17-,18+,19+,20+,21-,22+,23+,26-,27-,28+/m1/s1
InChIKey IXFQYNIGWDSRIZ-ZRYMFBHMSA-N
Literature Reference Author M.Y.PUTRA,G.BAVESTRELLO,C.CERRANO,B.RENGA,C.DAMORE,S.FIORUCC I,E.FATTORUSSO,O.TAG
Literature Reference Citation STEROIDS,77,433(2012)
Literature Reference DOI 10.1016/j.steroids.2011.12.026
Molecular Weight 448.687 g/mol
Sample ID 70585
Solvent CDCl3