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2-BETA,3-BETA,5-ALPHA-TRIHYDROXY-CHOLESTAN-6-ONE

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2-BETA,3-BETA,5-ALPHA-TRIHYDROXY-CHOLESTAN-6-ONE
SpectraBase Compound ID LthjtUfAWdZ
InChI InChI=1S/C27H46O4/c1-16(2)7-6-8-17(3)19-9-10-20-18-13-24(30)27(31)15-23(29)22(28)14-26(27,5)21(18)11-12-25(19,20)4/h16-23,28-29,31H,6-15H2,1-5H3/t17-,18+,19-,20+,21+,22+,23-,25?,26?,27+/m1/s1
InChIKey KGDATIYAPDSOHB-ANOOCTPTSA-N
Mol Weight 434.7 g/mol
Molecular Formula C27H46O4
Exact Mass 434.33961 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID EYHaXILKSkw
Name 2-BETA,3-BETA,5-ALPHA-TRIHYDROXY-CHOLESTAN-6-ONE
Compound Number 18
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C27H46O4
InChI InChI=1S/C27H46O4/c1-16(2)7-6-8-17(3)19-9-10-20-18-13-24(30)27(31)15-23(29)22(28)14-26(27,5)21(18)11-12-25(19,20)4/h16-23,28-29,31H,6-15H2,1-5H3/t17-,18+,19-,20+,21+,22+,23-,25?,26?,27+/m1/s1
InChIKey KGDATIYAPDSOHB-ANOOCTPTSA-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 434.660 g/mol
Sample ID 44675
Solvent CDCl3:CD3OD=4:1