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(+)-3-O-allyl-4-O-Benzyl-1,2:5,6-di-O-cyclohexylidene-myo-inositol
SpectraBase Compound ID DxGNHB1WuKk
InChI InChI=1S/C28H38O6/c1-2-18-29-21-22(30-19-20-12-6-3-7-13-20)24-26(34-28(32-24)16-10-5-11-17-28)25-23(21)31-27(33-25)14-8-4-9-15-27/h2-3,6-7,12-13,21-26H,1,4-5,8-11,14-19H2/t21-,22-,23-,24+,25-,26-/m0/s1
InChIKey RQQSUYCIRSJLPU-HZOVOTIMSA-N
Mol Weight 470.6 g/mol
Molecular Formula C28H38O6
Exact Mass 470.266839 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID DrzQM1TfISR
Name (+)-3-O-allyl-4-O-Benzyl-1,2:5,6-di-O-cyclohexylidene-myo-inositol
Alternate Name(s) (1'S,2'S,6'R,7'S,8'S,9'S)-7'-(benzyloxy)-8'-(prop-2-en-1-yloxy)dispiro[cyclohexane-1,4'-[3,5,10,12]tetraoxatricyclo[7.3.0.0(2,6)]dodecane-11',1''-cyclohexane]
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C28H38O6
InChI InChI=1S/C28H38O6/c1-2-18-29-21-22(30-19-20-12-6-3-7-13-20)24-26(34-28(32-24)16-10-5-11-17-28)25-23(21)31-27(33-25)14-8-4-9-15-27/h2-3,6-7,12-13,21-26H,1,4-5,8-11,14-19H2/t21-,22-,23-,24+,25-,26-/m0/s1
InChIKey RQQSUYCIRSJLPU-HZOVOTIMSA-N
Molecular Weight 470.606 g/mol
SMILES [C@@]12([C@@]3([C@](OC4(O3)CCCCC4)([C@]([C@@]([C@@]2(OC2(O1)CCCCC2)[H])(OCC=C)[H])(OCc1ccccc1)[H])[H])[H])[H]
SPLASH splash10-0006-9001000000-b8fb8877a8d54c04c228
Source of Spectrum J-63-5435-14
Wiley ID 1392904