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muco-Inositol tri-n-octaneboronate
SpectraBase Compound ID KLTI1KrVwir
InChI InChI=1S/C30H57B3O6/c1-4-7-10-13-16-19-22-31-34-25-27-30-28(37-32(36-27)23-20-17-14-11-8-5-2)26(35-31)29(25)38-33(39-30)24-21-18-15-12-9-6-3/h25-30H,4-24H2,1-3H3/t25-,26+,27-,28+,29+,30+
InChIKey RLLXEORDFIDFDC-KSLSAIHYSA-N
Mol Weight 546.2 g/mol
Molecular Formula C30H57B3O6
Exact Mass 546.44343 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 5Szoqkl7fue
Name muco-Inositol tri-n-octaneboronate
CAS Registry Number 69822-60-2
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C30H57B3O6
InChI InChI=1S/C30H57B3O6/c1-4-7-10-13-16-19-22-31-34-25-27-30-28(37-32(36-27)23-20-17-14-11-8-5-2)26(35-31)29(25)38-33(39-30)24-21-18-15-12-9-6-3/h25-30H,4-24H2,1-3H3/t25-,26+,27-,28+,29+,30+
InChIKey RLLXEORDFIDFDC-KSLSAIHYSA-N
Molecular Weight 546.210 g/mol
SMILES [C@]12(OB(O[C@]3([C@@]4([C@@]2(OB(O[C@@]1([C@]3(OB(O4)CCCCCCCC)[H])[H])CCCCCCCC)[H])[H])[H])CCCCCCCC)[H]
SPLASH splash10-000w-6943310000-afdee88af7762939d488
Source of Spectrum W5-1989-64404-1132
Wiley ID 1405264