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

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4-OXA-A-HOMO-5-ALPHA-CHOLESTAN-3-ONE
SpectraBase Compound ID KVHf57xoJrn
InChI InChI=1S/C27H46O2/c1-18(2)7-6-8-19(3)22-11-12-23-21-10-9-20-17-29-25(28)14-16-26(20,4)24(21)13-15-27(22,23)5/h18-24H,6-17H2,1-5H3/t19-,20+,21+,22-,23+,24+,26+,27-/m1/s1
InChIKey AXWLNAHJQUCDHE-FEKPLHOGSA-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 3IRk0XXKVfj
Name 4-OXA-A-HOMO-5-ALPHA-CHOLESTAN-3-ONE
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)22-11-12-23-21-10-9-20-17-29-25(28)14-16-26(20,4)24(21)13-15-27(22,23)5/h18-24H,6-17H2,1-5H3/t19-,20+,21+,22-,23+,24+,26+,27-/m1/s1
InChIKey AXWLNAHJQUCDHE-FEKPLHOGSA-N
Literature Reference Author V.DAVE,J.B.STOTHERS,E.W.WARNHOFF
Literature Reference Citation CAN.J.CHEM.,58,2666(1980)
Literature Reference DOI 10.1139/v80-426
Molecular Weight 402.661 g/mol
Solvent CDCl3
Source File Reference UWED5995