John Wiley & Sons, Inc. SpectraBase; SpectraBase Compound ID=JuzKLuCmBWt SpectraBase Spectrum ID=2BdVpEnxkEJ

(accessed ).
PELLYNOL-A+PELLYNOL-B;MIXTURE
SpectraBase Compound ID JuzKLuCmBWt
InChI InChI=1S/C33H52O3.C32H50O3/c1-2-32(35)28-24-21-19-17-15-13-11-9-7-5-3-4-6-8-10-12-14-16-18-20-22-25-29-33(36)30-26-23-27-31-34;1-2-31(34)27-23-20-18-16-14-12-10-8-6-4-3-5-7-9-11-13-15-17-19-21-24-28-32(35)29-25-22-26-30-33/h1,3-4,24,28,32-36H,5-22,25,29,31H2;1,3,5,23,27,31-35H,4,6-21,24,28,30H2/b4-3-,28-24+;5-3-,27-23+/t32-,33?;31-,32?/m00/s1
InChIKey PJLGDCJUHOXLGO-ILSOUIPTSA-N
Mol Weight 979.5 g/mol
Molecular Formula C65H102O6
Exact Mass 978.767642 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 2BdVpEnxkEJ
Name PELLYNOL-A+PELLYNOL-B;MIXTURE
Compound Number 7+8
Copyright Copyright © 2016-2021 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C65H102O6
InChI InChI=1S/C33H52O3.C32H50O3/c1-2-32(35)28-24-21-19-17-15-13-11-9-7-5-3-4-6-8-10-12-14-16-18-20-22-25-29-33(36)30-26-23-27-31-34;1-2-31(34)27-23-20-18-16-14-12-10-8-6-4-3-5-7-9-11-13-15-17-19-21-24-28-32(35)29-25-22-26-30-33/h1,3-4,24,28,32-36H,5-22,25,29,31H2;1,3,5,23,27,31-35H,4,6-21,24,28,30H2/b4-3-,28-24+;5-3-,27-23+/t32-,33?;31-,32?/m00/s1
InChIKey PJLGDCJUHOXLGO-ILSOUIPTSA-N
Literature Reference Author A.F.GABRIEL,Z.LI,R.KUSUDA,C.TANAKA,T.MIYAMOTO
Literature Reference Citation CHEM.PHARM.BULL.,63,469(2015)
Literature Reference DOI 10.1248/cpb.c15-00203
Molecular Weight 979.521 g/mol
Solvent CDCl3
Source File Reference UWPA10076
SpectraBase Batch ID IS5js58RrZq