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(-)-3,5,6-Tri-O-allyl-4-O-benzyl-1,2-O-cyclohexylidene-myo-inositol
SpectraBase Compound ID E48l3zWSDvh
InChI InChI=1S/C28H38O6/c1-4-17-29-22-23(32-20-21-13-9-7-10-14-21)25(31-19-6-3)27-26(24(22)30-18-5-2)33-28(34-27)15-11-8-12-16-28/h4-7,9-10,13-14,22-27H,1-3,8,11-12,15-20H2/t22-,23-,24+,25+,26-,27+/m1/s1
InChIKey WUMOEBWWSWSUQQ-RCZYFYQJSA-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 8fXGCel6oTj
Name (-)-3,5,6-Tri-O-allyl-4-O-benzyl-1,2-O-cyclohexylidene-myo-inositol
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C28H38O6
InChI InChI=1S/C28H38O6/c1-4-17-29-22-23(32-20-21-13-9-7-10-14-21)25(31-19-6-3)27-26(24(22)30-18-5-2)33-28(34-27)15-11-8-12-16-28/h4-7,9-10,13-14,22-27H,1-3,8,11-12,15-20H2/t22-,23-,24+,25+,26-,27+/m1/s1
InChIKey WUMOEBWWSWSUQQ-RCZYFYQJSA-N
Molecular Weight 470.606 g/mol
SMILES [C@]12([C@]([C@@](OCC=C)([C@@]([C@]([C@@]2(OCC=C)[H])(OCC=C)[H])(OCc2ccccc2)[H])[H])(OC2(O1)CCCCC2)[H])[H]
SPLASH splash10-0006-9001000000-c8bddd37d92291cd5a55
Source of Spectrum J-63-5435-16
Synonyms (3aR,4S,5S,6R,7S,7aS)-6-(benzyloxy)-4,5,7-tris(prop-2-en-1-yloxy)-hexahydrospiro[1,3-benzodioxole-2,1'-cyclohexane]
Wiley ID 1392903