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[7,9,19-(13)C(3)]-(3R,5R,8R)-3,5-DEHYDRO-8-HYDROXY-9,10-SECO-25-(TRIMETHYLSILYLOXY)-CHOLEST-10(19)-EN-6-YNE
SpectraBase Compound ID 1mOIUgSpOIV
InChI InChI=1S/C30H50O2Si/c1-22(11-9-16-27(3,4)32-33(6,7)8)25-14-15-26-28(25,5)17-10-18-30(26,31)20-19-29-21-24(29)13-12-23(29)2/h22,24-26,31H,2,9-18,21H2,1,3-8H3/t22-,24-,25-,26-,28-,29-,30-/m1/s1/i2+1,18+1,20+1
InChIKey BJRDRTHWKOJMRM-PTBRAJNCSA-N
Mol Weight 473.8 g/mol
Molecular Formula C2713C3H50O2Si
Exact Mass 473.368072 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID ADeqANiQMI9
Name [7,9,19-(13)C(3)]-(3R,5R,8R)-3,5-DEHYDRO-8-HYDROXY-9,10-SECO-25-(TRIMETHYLSILYLOXY)-CHOLEST-10(19)-EN-6-YNE
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C30H50O2Si
InChI InChI=1S/C30H50O2Si/c1-22(11-9-16-27(3,4)32-33(6,7)8)25-14-15-26-28(25,5)17-10-18-30(26,31)20-19-29-21-24(29)13-12-23(29)2/h22,24-26,31H,2,9-18,21H2,1,3-8H3/t22-,24-,25-,26-,28-,29-,30-/m1/s1/i2+1,18+1,20+1
InChIKey BJRDRTHWKOJMRM-PTBRAJNCSA-N
Literature Reference Author W.H.OKAMURA,G.D.ZHU,D.K.HILL,R.J.THOMAS,K.RINGE,D.B.BORCHARD T,A.W.NORMAN,L.J.MUE
Literature Reference Citation J.ORG.CHEM.,67,1637(2002)
Literature Reference DOI 10.1021/jo011096y
Molecular Weight 470.811 g/mol
Solvent CDCl3
Source File Reference UWSI24158