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6-O-ALLYL-1-O-(PARA-METHOXYBENZYL)-2,3:4,5-DI-O-CYCLOHEXYLIDENE-MYO-INOSITOL
SpectraBase Compound ID Hx3E57nFxbu
InChI InChI=1S/C29H40O7/c1-3-18-31-22-23(32-19-20-10-12-21(30-2)13-11-20)25-27(36-29(34-25)16-8-5-9-17-29)26-24(22)33-28(35-26)14-6-4-7-15-28/h3,10-13,22-27H,1,4-9,14-19H2,2H3/t22-,23-,24+,25-,26-,27-/m1/s1
InChIKey HYJBLNMZLYFTNB-ABKQVJMDSA-N
Mol Weight 500.6 g/mol
Molecular Formula C29H40O7
Exact Mass 500.277404 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 66qyW152gNX
Name (-)-6-O-Allyl1-O-(p-methoxybenzyl)-2,3:4,5-di-O-cyclohexylidene-myo-inositol
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C29H40O7
InChI InChI=1S/C29H40O7/c1-3-18-31-22-23(32-19-20-10-12-21(30-2)13-11-20)25-27(36-29(34-25)16-8-5-9-17-29)26-24(22)33-28(35-26)14-6-4-7-15-28/h3,10-13,22-27H,1,4-9,14-19H2,2H3/t22-,23-,24+,25-,26-,27-/m1/s1
InChIKey HYJBLNMZLYFTNB-ABKQVJMDSA-N
Molecular Weight 500.632 g/mol
SMILES [C@]12([C@]3([C@@](OC4(O3)CCCCC4)([C@@]([C@]([C@]2(OC2(O1)CCCCC2)[H])(OCc1ccc(cc1)OC)[H])(OCC=C)[H])[H])[H])[H]
SPLASH splash10-00di-0900000000-8ec7a8dc02d9e40cbc82
Source of Spectrum J-63-5436-25
Synonyms (1'R,2'R,6'S,7'R,8'R,9'R)-8'-[(4-methoxyphenyl)methoxy]-7'-(prop-2-en-1-yloxy)dispiro[cyclohexane-1,4'-[3,5,10,12]tetraoxatricyclo[7.3.0.0(2,6)]dodecane-11',1''-cyclohexane]
Wiley ID 1398905