For citations & permissions, please see: Citations & Permissions - Wiley Science Solutions*

*Links on SpectraBase are not permalinks.
MYO-INOSITOL-1-[(S)-3,4-DIPALMITOYLOXYBUTYL]-SULFONATE
SpectraBase Compound ID E8Zr2sFj0RF
InChI InChI=1S/C42H80O12S/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-35(43)52-33-34(31-32-55(50,51)54-42-40(48)38(46)37(45)39(47)41(42)49)53-36(44)30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h34,37-42,45-49H,3-33H2,1-2H3/t34?,37-,38-,39+,40-,41-,42-/m1/s1
InChIKey IZBRJEMGPWFYBN-GIMFOJJNSA-N
Mol Weight 809.1 g/mol
Molecular Formula C42H80O12S
Exact Mass 808.537049 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

View the Full Spectrum for FREE!

The full spectrum can only be viewed using a FREE account.

SpectraBase Spectrum ID LOpLaEOgogq
Name MYO-INOSITOL-1-[(S)-3,4-DIPALMITOYLOXYBUTYL]-SULFONATE
Compound Number IV
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C42H80O12S
InChI InChI=1S/C42H80O12S/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-35(43)52-33-34(31-32-55(50,51)54-42-40(48)38(46)37(45)39(47)41(42)49)53-36(44)30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h34,37-42,45-49H,3-33H2,1-2H3/t34?,37-,38-,39+,40-,41-,42-/m1/s1
InChIKey IZBRJEMGPWFYBN-GIMFOJJNSA-N
Literature Reference Author C.J.J.ELLE,C.E.DREEF,D.M.BROUNTS,G.A.VANDERMAREL,J.H.VANBOOM
Literature Reference Citation REC.TR.CH.P.-B.,110,92(1991)
Literature Reference DOI 10.1002/recl.19911100307
Molecular Weight 809.150 g/mol
Solvent CDCl3
Source File Reference UWTS1642