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COPROSTAN-6-ONE

View entire compound with spectra: 2 NMR, and 1 MS (GC)

COPROSTAN-6-ONE
SpectraBase Compound ID MEP1x6Wtoq
InChI InChI=1S/C27H46O/c1-18(2)9-8-10-19(3)21-12-13-22-20-17-25(28)24-11-6-7-15-26(24,4)23(20)14-16-27(21,22)5/h18-24H,6-17H2,1-5H3/t19-,20+,21-,22+,23+,24+,26-,27-/m1/s1
InChIKey WSSZZUWWCXSGKJ-HVPCJGPWSA-N
Mol Weight 386.7 g/mol
Molecular Formula C27H46O
Exact Mass 386.354866 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID o1RZnCwPPK
Name COPROSTAN-6-ONE
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C27H46O
InChI InChI=1S/C27H46O/c1-18(2)9-8-10-19(3)21-12-13-22-20-17-25(28)24-11-6-7-15-26(24,4)23(20)14-16-27(21,22)5/h18-24H,6-17H2,1-5H3/t19-,20+,21-,22+,23+,24+,26-,27-/m1/s1
InChIKey WSSZZUWWCXSGKJ-HVPCJGPWSA-N
Literature Reference Author J.W.BLUNT,J.M.COXON,N.B.LINDLEY,G.A.LANE
Literature Reference Citation AUSTR.J.CHEM.,29,967(1976)
Literature Reference DOI 10.1071/ch9760967
Molecular Weight 386.662 g/mol
Solvent CDCl3
Source File Reference UWWR807