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(-)-3,4,6-Tri-O-allyl-1,2-O-cyclohexylidene-myo-inositol
SpectraBase Compound ID 1Z5019G6fLz
InChI InChI=1S/C21H32O6/c1-4-12-23-16-15(22)17(24-13-5-2)19-20(18(16)25-14-6-3)27-21(26-19)10-8-7-9-11-21/h4-6,15-20,22H,1-3,7-14H2/t15-,16-,17+,18+,19-,20+/m1/s1
InChIKey QQTIEWZTSBYEGX-JWLCQNFESA-N
Mol Weight 380.5 g/mol
Molecular Formula C21H32O6
Exact Mass 380.219889 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID F39f5Km8yOe
Name (-)-3,4,6-Tri-O-allyl-1,2-O-cyclohexylidene-myo-inositol
Alternate Name(s) (3aR,4S,5R,6R,7S,7aS)-4,6,7-tris(prop-2-en-1-yloxy)-hexahydrospiro[1,3-benzodioxole-2,1'-cyclohexane]-5-ol
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C21H32O6
InChI InChI=1S/C21H32O6/c1-4-12-23-16-15(22)17(24-13-5-2)19-20(18(16)25-14-6-3)27-21(26-19)10-8-7-9-11-21/h4-6,15-20,22H,1-3,7-14H2/t15-,16-,17+,18+,19-,20+/m1/s1
InChIKey QQTIEWZTSBYEGX-JWLCQNFESA-N
Molecular Weight 380.481 g/mol
SMILES O[C@]1([C@@]([C@@]2([C@]([C@@](OCC=C)([C@@]1(OCC=C)[H])[H])(OC1(O2)CCCCC1)[H])[H])(OCC=C)[H])[H]
SPLASH splash10-0006-9004000000-796ad0e260e06d03d6ec
Source of Spectrum J-63-5434-3
Wiley ID 1359741