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(+-)-3,6-Di-O-benzyl-2-deoxy-2-fluoro-4,5-isopropylidene-1-O-[(Z)-prop-1-enyl]-scyllo-inositol
SpectraBase Compound ID 2kp8IGyn42T
InChI InChI=1S/C26H31FO5/c1-4-15-28-21-20(27)22(29-16-18-11-7-5-8-12-18)24-25(32-26(2,3)31-24)23(21)30-17-19-13-9-6-10-14-19/h4-15,20-25H,16-17H2,1-3H3/b15-4-/t20-,21-,22+,23+,24+,25-/m1/s1
InChIKey DBEVBBSTBRWGPK-OCWJCARASA-N
Mol Weight 442.53 g/mol
Molecular Formula C26H31FO5
Exact Mass 442.215552 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 1dW5wOFsIYF
Name (+-)-3,6-Di-O-benzyl-2-deoxy-2-fluoro-4,5-isopropylidene-1-O-[(Z)-prop-1-enyl]-scyllo-inositol
Alternate Name(s) 4,7-bis(benzyloxy)-5-fluoro-2,2-dimethyl-6-[(1Z)-1-propenyloxy]hexahydro-1,3-benzodioxole
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C26H31FO5
InChI InChI=1S/C26H31FO5/c1-4-15-28-21-20(27)22(29-16-18-11-7-5-8-12-18)24-25(32-26(2,3)31-24)23(21)30-17-19-13-9-6-10-14-19/h4-15,20-25H,16-17H2,1-3H3/b15-4-/t20-,21-,22+,23+,24+,25-/m1/s1
InChIKey DBEVBBSTBRWGPK-OCWJCARASA-N
Molecular Weight 442.527 g/mol
SMILES [C@@]12([C@]([C@@](OCc3ccccc3)([C@@]([C@]([C@@]1(OCc1ccccc1)[H])(O\C=C/C)[H])(F)[H])[H])(OC(O2)(C)C)[H])[H]
SPLASH splash10-0a4o-9960000000-35c19683c0aef806a23b
Source of Spectrum KC-1992-928-13
Wiley ID 776418