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2,3,4,7-TETRA-O-BENZYL-1-EPI-[1-(13)C]-VALIENOL
SpectraBase Compound ID jWNlShAG1v
InChI InChI=1S/C35H36O5/c36-32-21-31(26-37-22-27-13-5-1-6-14-27)33(38-23-28-15-7-2-8-16-28)35(40-25-30-19-11-4-12-20-30)34(32)39-24-29-17-9-3-10-18-29/h1-21,32-36H,22-26H2/t32?,33-,34+,35+/m1/s1
InChIKey LOKFPHGRSKQXAY-NZTROBLZSA-N
Mol Weight 536.7 g/mol
Molecular Formula C35H36O5
Exact Mass 536.256274 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 40FatdZ5MIM
Name 2,3,4,7-TETRA-O-BENZYL-1-EPI-[1-(13)C]-VALIENOL
Compound Number 16
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C35H36O5
InChI InChI=1S/C35H36O5/c36-32-21-31(26-37-22-27-13-5-1-6-14-27)33(38-23-28-15-7-2-8-16-28)35(40-25-30-19-11-4-12-20-30)34(32)39-24-29-17-9-3-10-18-29/h1-21,32-36H,22-26H2/t32?,33-,34+,35+/m1/s1
InChIKey LOKFPHGRSKQXAY-NZTROBLZSA-N
Literature Reference Author T.MAHMUD,I.TORNUS,E.EGELKROUT,E.WOLF,C.UY,H.G.FLOSS,S.LEE
Literature Reference Citation J.AM.CHEM.SOC.,121,6973(1999)
Literature Reference DOI 10.1021/ja991102w
Molecular Weight 536.668 g/mol
Solvent CDCl3
Source File Reference UWRU11436