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[9,19-(13)C(2)]-(3R,5R)-(6E)-3,5-DEHYDRO-9,10-SECOCHOLESTA-6,10(19)-DIEN-8-BETA-OL
SpectraBase Compound ID 3xcomTP4yY0
InChI InChI=1S/C27H44O/c1-19(2)8-6-9-20(3)23-12-13-24-25(23,5)14-7-15-27(24,28)17-16-26-18-22(26)11-10-21(26)4/h16-17,19-20,22-24,28H,4,6-15,18H2,1-3,5H3/b17-16+/t20-,22-,23-,24-,25-,26-,27-/m1/s1/i4+1,15+1
InChIKey RGTKHYOADYKBRO-GEQQNTHISA-N
Mol Weight 386.6 g/mol
Molecular Formula C2513C2H44O
Exact Mass 386.345926 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 62o8vWcFKvu
Name [9,19-(13)C(2)]-(3R,5R)-(6E)-3,5-DEHYDRO-9,10-SECOCHOLESTA-6,10(19)-DIEN-8-BETA-OL
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C27H44O
InChI InChI=1S/C27H44O/c1-19(2)8-6-9-20(3)23-12-13-24-25(23,5)14-7-15-27(24,28)17-16-26-18-22(26)11-10-21(26)4/h16-17,19-20,22-24,28H,4,6-15,18H2,1-3,5H3/b17-16+/t20-,22-,23-,24-,25-,26-,27-/m1/s1/i4+1,15+1
InChIKey RGTKHYOADYKBRO-GEQQNTHISA-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 384.646 g/mol
Solvent CDCl3
Source File Reference UWSI24160