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ISOMER-BETA
SpectraBase Compound ID LjLUzFy7Vo0
InChI InChI=1S/C38H44O14/c1-42-21-26-28(43-2)30(44-3)32(45-4)38(49-26)47-22-27-29(50-34(39)23-15-9-6-10-16-23)31(51-35(40)24-17-11-7-12-18-24)33(37(46-5)48-27)52-36(41)25-19-13-8-14-20-25/h6-20,26-33,37-38H,21-22H2,1-5H3/t26-,27+,28-,29+,30+,31-,32-,33+,37-,38-/m1/s1
InChIKey VELQCOOKPVOPMN-POIOTOKSSA-N
Mol Weight 724.8 g/mol
Molecular Formula C38H44O14
Exact Mass 724.273106 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID EkvMmE807V1
Name ISOMER-BETA
Compound Number 9
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C38H44O14
InChI InChI=1S/C38H44O14/c1-42-21-26-28(43-2)30(44-3)32(45-4)38(49-26)47-22-27-29(50-34(39)23-15-9-6-10-16-23)31(51-35(40)24-17-11-7-12-18-24)33(37(46-5)48-27)52-36(41)25-19-13-8-14-20-25/h6-20,26-33,37-38H,21-22H2,1-5H3/t26-,27+,28-,29+,30+,31-,32-,33+,37-,38-/m1/s1
InChIKey VELQCOOKPVOPMN-POIOTOKSSA-N
Literature Reference Author M.J.CHEN,K.RAVINDRAN,D.W.LANDRY,K.ZHAO
Literature Reference Citation HETEROCYCLES,45,1247(1997)
Literature Reference DOI 10.3987/COM-96-7466
Molecular Weight 724.759 g/mol
Solvent CDCl3
Source File Reference UWCP6628