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5-.alpha.-Hydroxycholest-2-en-6-one

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5-.alpha.-Hydroxycholest-2-en-6-one
SpectraBase Compound ID Jaaqqh3JmQ
InChI InChI=1S/C27H44O2/c1-18(2)9-8-10-19(3)21-11-12-22-20-17-24(28)27(29)15-7-6-14-26(27,5)23(20)13-16-25(21,22)4/h6-7,18-23,29H,8-17H2,1-5H3/t19-,20+,21-,22+,23+,25?,26?,27+/m1/s1
InChIKey YJENMWJFLIYQSC-CMUPCEEGSA-N
Mol Weight 400.6 g/mol
Molecular Formula C27H44O2
Exact Mass 400.334131 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID DNh8pacNMEE
Name 5-ALPHA-HYDROXY-CHOLEST-2-EN-6-ONE
Compound Number 16
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C27H44O2
InChI InChI=1S/C27H44O2/c1-18(2)9-8-10-19(3)21-11-12-22-20-17-24(28)27(29)15-7-6-14-26(27,5)23(20)13-16-25(21,22)4/h6-7,18-23,29H,8-17H2,1-5H3/t19-,20+,21-,22+,23+,25?,26?,27+/m1/s1
InChIKey YJENMWJFLIYQSC-CMUPCEEGSA-N
Literature Reference Author N.DEIVE,J.RODRIGUEZ,C.JIMENEZ
Literature Reference Citation J.MED.CHEM.,44,2612(2001)
Literature Reference DOI 10.1021/jm010867n
Molecular Weight 400.645 g/mol
Sample ID 44673
Solvent CDCl3