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2-OXA-A-HOMO-5-ALPHA-CHOLESTAN-3-ONE

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2-OXA-A-HOMO-5-ALPHA-CHOLESTAN-3-ONE
SpectraBase Compound ID 3RvGZlsbQhL
InChI InChI=1S/C27H46O2/c1-18(2)7-6-8-19(3)22-12-13-23-21-11-9-20-10-14-25(28)29-17-27(20,5)24(21)15-16-26(22,23)4/h18-24H,6-17H2,1-5H3/t19-,20+,21+,22-,23+,24+,26-,27+/m1/s1
InChIKey SBMPAGDDXBTFEM-XLDSYAJBSA-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 829ok8mVa48
Name 2-OXA-A-HOMO-5-ALPHA-CHOLESTAN-3-ONE
Compound Number 15
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C27H46O2
InChI InChI=1S/C27H46O2/c1-18(2)7-6-8-19(3)22-12-13-23-21-11-9-20-10-14-25(28)29-17-27(20,5)24(21)15-16-26(22,23)4/h18-24H,6-17H2,1-5H3/t19-,20+,21+,22-,23+,24+,26-,27+/m1/s1
InChIKey SBMPAGDDXBTFEM-XLDSYAJBSA-N
Literature Reference Author V.DAVE,J.B.STOTHERS,E.W.WARNHOFF
Literature Reference Citation CAN.J.CHEM.,62,1965(1984)
Literature Reference DOI 10.1139/v84-337
Molecular Weight 402.661 g/mol
Solvent CDCl3
Source File Reference UWED2116