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1,4,5,6-Tetra-O-hexyl-3-O-methyl-myo-inositol

View entire compound with spectra: 1 MS (GC)

1,4,5,6-Tetra-O-hexyl-3-O-methyl-myo-inositol
SpectraBase Compound ID CzvZUoAHp8N
InChI InChI=1S/C31H62O6/c1-6-10-14-18-22-34-28-26(32)27(33-5)29(35-23-19-15-11-7-2)31(37-25-21-17-13-9-4)30(28)36-24-20-16-12-8-3/h26-32H,6-25H2,1-5H3/t26-,27+,28-,29-,30+,31+/m0/s1
InChIKey PNMFQZGGLMIYGR-DJJGFCJYSA-N
Mol Weight 530.8 g/mol
Molecular Formula C31H62O6
Exact Mass 530.45464 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID G9zZAOpT5Mm
Name 1,4,5,6-Tetra-O-hexyl-3-O-methyl-myo-inositol
Alternate Name(s) (1S,2S,3R,4R,5S,6R)-2,3,4,5-tetrakis(hexyloxy)-6-methoxycyclohexan-1-ol
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C31H62O6
InChI InChI=1S/C31H62O6/c1-6-10-14-18-22-34-28-26(32)27(33-5)29(35-23-19-15-11-7-2)31(37-25-21-17-13-9-4)30(28)36-24-20-16-12-8-3/h26-32H,6-25H2,1-5H3/t26-,27+,28-,29-,30+,31+/m0/s1
InChIKey PNMFQZGGLMIYGR-DJJGFCJYSA-N
Molecular Weight 530.831 g/mol
SMILES O[C@@]1([C@@]([C@]([C@@]([C@]([C@@]1(OC)[H])(OCCCCCC)[H])(OCCCCCC)[H])(OCCCCCC)[H])(OCCCCCC)[H])[H]
SPLASH splash10-00dl-2930000000-160b4c8b8897f5d97737
Source of Spectrum K-124-2275-9
Wiley ID 1790430