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1,4,5,6-Tetra-O-hexanoyl-myo-inositol

View entire compound with spectra: 1 MS (GC)

1,4,5,6-Tetra-O-hexanoyl-myo-inositol
SpectraBase Compound ID 3Uqnlux7Yg1
InChI InChI=1S/C30H52O10/c1-5-9-13-17-21(31)37-27-25(35)26(36)28(38-22(32)18-14-10-6-2)30(40-24(34)20-16-12-8-4)29(27)39-23(33)19-15-11-7-3/h25-30,35-36H,5-20H2,1-4H3/t25-,26+,27-,28-,29+,30+/m0/s1
InChIKey SBMBGRLNLXMDLW-SYNBMOGOSA-N
Mol Weight 572.7 g/mol
Molecular Formula C30H52O10
Exact Mass 572.356048 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID PWtlzNII66
Name 1,4,5,6-Tetra-O-hexanoyl-myo-inositol
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C30H52O10
InChI InChI=1S/C30H52O10/c1-5-9-13-17-21(31)37-27-25(35)26(36)28(38-22(32)18-14-10-6-2)30(40-24(34)20-16-12-8-4)29(27)39-23(33)19-15-11-7-3/h25-30,35-36H,5-20H2,1-4H3/t25-,26+,27-,28-,29+,30+/m0/s1
InChIKey SBMBGRLNLXMDLW-SYNBMOGOSA-N
Literature Reference DOI 10.1002/cber.19911241020
Molecular Weight 572.736 g/mol
SMILES O[C@]1([C@@]([C@]([C@@]([C@]([C@]1(O)[H])(OC(CCCCC)=O)[H])(OC(CCCCC)=O)[H])(OC(CCCCC)=O)[H])(OC(CCCCC)=O)[H])[H]
SPLASH splash10-006t-9210000000-3a87c1aff300708cd698
Source of Spectrum K-124-2274-7
Synonyms (1S,2R,3R,4S,5R,6S)-5,6-dihydroxycyclohexane-1,2,3,4-tetrayl tetrahexanoate
Wiley ID 1790429