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2,3,4,7-TETRA-O-BENZYL-[1-(13)C]-VALIENONE

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2,3,4,7-TETRA-O-BENZYL-[1-(13)C]-VALIENONE
SpectraBase Compound ID 6eQavc489Wa
InChI InChI=1S/C35H34O5/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/h1-21,33-35H,22-26H2/t33-,34+,35+/m1/s1
InChIKey VZUKMTZDQDKJFX-PLJDCMBSSA-N
Mol Weight 534.7 g/mol
Molecular Formula C35H34O5
Exact Mass 534.240624 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID BW9H066vFIe
Name 2,3,4,7-TETRA-O-BENZYL-[1-(13)C]-VALIENONE
Compound Number 15
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C35H34O5
InChI InChI=1S/C35H34O5/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/h1-21,33-35H,22-26H2/t33-,34+,35+/m1/s1
InChIKey VZUKMTZDQDKJFX-PLJDCMBSSA-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 534.652 g/mol
Solvent CDCl3
Source File Reference UWRU11434