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(-)-3-O-allyl-4-O-Benzyl-1,2-O-cyclohexylidene-myo-inositol
SpectraBase Compound ID GX0839AW75k
InChI InChI=1S/C22H30O6/c1-2-13-25-20-18(26-14-15-9-5-3-6-10-15)16(23)17(24)19-21(20)28-22(27-19)11-7-4-8-12-22/h2-3,5-6,9-10,16-21,23-24H,1,4,7-8,11-14H2/t16-,17-,18+,19+,20-,21+/m0/s1
InChIKey HAUAZEZUSLLFGA-MKUJHJDCSA-N
Mol Weight 390.48 g/mol
Molecular Formula C22H30O6
Exact Mass 390.204239 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 6PFnYlslfTo
Name (-)-3-O-allyl-4-O-Benzyl-1,2-O-cyclohexylidene-myo-inositol
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C22H30O6
InChI InChI=1S/C22H30O6/c1-2-13-25-20-18(26-14-15-9-5-3-6-10-15)16(23)17(24)19-21(20)28-22(27-19)11-7-4-8-12-22/h2-3,5-6,9-10,16-21,23-24H,1,4,7-8,11-14H2/t16-,17-,18+,19+,20-,21+/m0/s1
InChIKey HAUAZEZUSLLFGA-MKUJHJDCSA-N
Molecular Weight 390.476 g/mol
SMILES O[C@@]1([C@@]2([C@]([C@]([C@@]([C@]1(O)[H])(OCc1ccccc1)[H])(OCC=C)[H])(OC1(O2)CCCCC1)[H])[H])[H]
SPLASH splash10-0006-9010000000-5bb589b62d792b3290f0
Source of Spectrum J-63-5435-15
Synonyms (3aR,4S,5S,6R,7S,7aS)-6-(benzyloxy)-7-(prop-2-en-1-yloxy)-hexahydrospiro[1,3-benzodioxole-2,1'-cyclohexane]-4,5-diol
Wiley ID 1364894