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4A-OXA-A-BISHOMO-B-NOR-3-ALPHA,5-CYCLO-5-ALPHA-CHOLESTAN-6-ALPHA-OL
SpectraBase Compound ID CH22kiNZOQA
InChI InChI=1S/C27H46O2/c1-17(2)7-6-8-18(3)21-9-10-22-20-15-27-19(16-29-24(27)28)11-14-26(27,5)23(20)12-13-25(21,22)4/h17-24,28H,6-16H2,1-5H3/t18-,19-,20+,21-,22+,23+,24-,25-,26-,27-/m1/s1
InChIKey KDCOKPKSWFRNOM-LNNCCXOPSA-N
Mol Weight 402.7 g/mol
Molecular Formula C27H46O2
Exact Mass 402.349781 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID Bq78Ck2LRN7
Name 4A-OXA-A-BISHOMO-B-NOR-3-ALPHA,5-CYCLO-5-ALPHA-CHOLESTAN-6-ALPHA-OL
Compound Number 11
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C27H46O2
InChI InChI=1S/C27H46O2/c1-17(2)7-6-8-18(3)21-9-10-22-20-15-27-19(16-29-24(27)28)11-14-26(27,5)23(20)12-13-25(21,22)4/h17-24,28H,6-16H2,1-5H3/t18-,19-,20+,21-,22+,23+,24-,25-,26-,27-/m1/s1
InChIKey KDCOKPKSWFRNOM-LNNCCXOPSA-N
Literature Reference Author P.KOCOVSKY,V.DUNN,A.GOGOLL,V.LANGER
Literature Reference Citation J.ORG.CHEM.,64,101(1999)
Literature Reference DOI 10.1021/jo9812882
Molecular Weight 402.661 g/mol
Sample ID 39146
Solvent CDCl3