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6-O-BENZYL-2,3:4,5-DI-O-CYCLOHEXYLIDENE-1-D-MYO-INOSITOL
SpectraBase Compound ID LZyjzrFIPrn
InChI InChI=1S/C25H34O6/c26-18-19(27-16-17-10-4-1-5-11-17)21-23(31-25(29-21)14-8-3-9-15-25)22-20(18)28-24(30-22)12-6-2-7-13-24/h1,4-5,10-11,18-23,26H,2-3,6-9,12-16H2/t18-,19-,20-,21+,22-,23-/m0/s1
InChIKey IADVUVVIWYXFFK-FHEJEKGWSA-N
Mol Weight 430.5 g/mol
Molecular Formula C25H34O6
Exact Mass 430.235539 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID DhQtJsLmlGp
Name (-)-6-O-Benzyl-2,3:4,5-di-O-cyclohexylidene-myo-inositol
Alternate Name(s) (1'R,2'R,6'S,7'R,8'R,9'R)-7'-(benzyloxy)dispiro[cyclohexane-1,4'-[3,5,10,12]tetraoxatricyclo[7.3.0.0(2,6)]dodecane-11',1''-cyclohexane]-8'-ol
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C25H34O6
InChI InChI=1S/C25H34O6/c26-18-19(27-16-17-10-4-1-5-11-17)21-23(31-25(29-21)14-8-3-9-15-25)22-20(18)28-24(30-22)12-6-2-7-13-24/h1,4-5,10-11,18-23,26H,2-3,6-9,12-16H2/t18-,19-,20-,21+,22-,23-/m0/s1
InChIKey IADVUVVIWYXFFK-FHEJEKGWSA-N
Molecular Weight 430.541 g/mol
SMILES O[C@]1([C@](OCc2ccccc2)([C@@]2([C@@]([C@@]3([C@]1(OC1(O3)CCCCC1)[H])[H])(OC1(CCCCC1)O2)[H])[H])[H])[H]
SPLASH splash10-0006-9004100000-d747bee669327efcbaec
Source of Spectrum J-61-5907-3
Wiley ID 1381619