John Wiley & Sons, Inc. SpectraBase; SpectraBase Compound ID=KrCWxcojG1W SpectraBase Spectrum ID=10LL86hVnkl

(accessed ).
Dipuupehetriol
SpectraBase Compound ID KrCWxcojG1W
InChI InChI=1S/C42H54O6/c1-37(2)13-9-15-39(5)27(37)11-17-41(7)29(39)19-22-25(47-41)21-24(44)34-30(22)32-31-26(20-23(43)33(32)45)48-42(8)18-12-28-38(3,4)14-10-16-40(28,6)36(42)35(31)46-34/h19-21,27-28,35-36,43-45H,9-18H2,1-8H3/t27-,28-,35+,36+,39-,40-,41-,42-/m0/s1
InChIKey YHBNZAXDVRIVFN-AGEOKJENSA-N
Mol Weight 654.9 g/mol
Molecular Formula C42H54O6
Exact Mass 654.39204 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 10LL86hVnkl
Name DIPUUPEHETRIOL
Compound Number 8
Copyright Copyright © 2016-2021 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C42H54O6
InChI InChI=1S/C42H54O6/c1-37(2)13-9-15-39(5)27(37)11-17-41(7)29(39)19-22-25(47-41)21-24(44)34-30(22)32-31-26(20-23(43)33(32)45)48-42(8)18-12-28-38(3,4)14-10-16-40(28,6)36(42)35(31)46-34/h19-21,27-28,35-36,43-45H,9-18H2,1-8H3/t27-,28-,35+,36+,39-,40-,41-,42-/m0/s1
InChIKey YHBNZAXDVRIVFN-AGEOKJENSA-N
Literature Reference Author M.T.HAMANN,P.J.SCHEUER,M.KELLY-BORGES
Literature Reference Citation J.ORG.CHEM.,58,6565(1993)
Literature Reference DOI 10.1021/jo00076a012
Molecular Weight 654.887 g/mol
Solvent CDCl3
Source File Reference UWGE2324
SpectraBase Batch ID DLjBTMmgLla