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2,3,4,7-TETRA-O-BENZYL-2-EPI-5-EPI-[6-(2)H(2)]-VALIOLONE

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2,3,4,7-TETRA-O-BENZYL-2-EPI-5-EPI-[6-(2)H(2)]-VALIOLONE
SpectraBase Compound ID HkwLs2B8Tdy
InChI InChI=1S/C35H36O6/c36-31-21-35(37,26-38-22-27-13-5-1-6-14-27)34(41-25-30-19-11-4-12-20-30)33(40-24-29-17-9-3-10-18-29)32(31)39-23-28-15-7-2-8-16-28/h1-20,32-34,37H,21-26H2/t32-,33-,34+,35?/m1/s1
InChIKey JWXHKWBUBUUEFP-ANDILNNCSA-N
Mol Weight 552.7 g/mol
Molecular Formula C35H36O6
Exact Mass 552.251189 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID JgI5myhxyiE
Name 2,3,4,7-TETRA-O-BENZYL-2-EPI-5-EPI-[6-(2)H(2)]-VALIOLONE
Compound Number [6-(2)H(2)]-24A
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C35H36O6
InChI InChI=1S/C35H36O6/c36-31-21-35(37,26-38-22-27-13-5-1-6-14-27)34(41-25-30-19-11-4-12-20-30)33(40-24-29-17-9-3-10-18-29)32(31)39-23-28-15-7-2-8-16-28/h1-20,32-34,37H,21-26H2/t32-,33-,34+,35?/m1/s1
InChIKey JWXHKWBUBUUEFP-ANDILNNCSA-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 552.667 g/mol
Solvent CDCl3
Source File Reference UWRU11439