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DL-3-O-Allyl-6-O-benzyl-1,2;4,5-di-O-isopropylidene-myo-inositol

View entire compound with spectra: 1 MS (GC)

DL-3-O-Allyl-6-O-benzyl-1,2;4,5-di-O-isopropylidene-myo-inositol
SpectraBase Compound ID KPRPwaEtbfz
InChI InChI=1S/C22H30O6/c1-6-12-23-15-17-19(27-21(2,3)25-17)16(20-18(15)26-22(4,5)28-20)24-13-14-10-8-7-9-11-14/h6-11,15-20H,1,12-13H2,2-5H3/t15-,16-,17-,18-,19-,20+/m0/s1
InChIKey YVRPOJZBKGPTFN-RPZLJYRGSA-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 HZlIxtkhcU1
Name DL-3-O-Allyl-6-O-benzyl-1,2;4,5-di-O-isopropylidene-myo-inositol
Alternate Name(s) (3aS,4aS,7aR,8aS)-4-(allyloxy)-8-(benzyloxy)-2,2,6,6-tetramethylhexahydro[1,3]dioxolo[4,5-f][1,3]benzodioxole 4,5-Di-O-isopropylidene-myo-inositol DL-3-O-allyl-6-O-benzyl-1,2
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C22H30O6
InChI InChI=1S/C22H30O6/c1-6-12-23-15-17-19(27-21(2,3)25-17)16(20-18(15)26-22(4,5)28-20)24-13-14-10-8-7-9-11-14/h6-11,15-20H,1,12-13H2,2-5H3/t15-,16-,17-,18-,19-,20+/m0/s1
InChIKey YVRPOJZBKGPTFN-RPZLJYRGSA-N
Molecular Weight 390.476 g/mol
SMILES [C@]12([C@]([C@](OCC=C)([C@]3([C@]([C@]2(OCc2ccccc2)[H])(OC(C)(C)O3)[H])[H])[H])(OC(O1)(C)C)[H])[H]
SPLASH splash10-000x-6419000000-55b3671642610ff035fd
Source of Spectrum J-62-8338-10
Wiley ID 1364892