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(+)-6-O-Allyl1-O-(p-methoxybenzyl)-2,3-O-cyclohexylidene-myo-inositol
SpectraBase Compound ID I6G2pYIH8iW
InChI InChI=1S/C23H32O7/c1-3-13-27-19-17(24)18(25)20-22(30-23(29-20)11-5-4-6-12-23)21(19)28-14-15-7-9-16(26-2)10-8-15/h3,7-10,17-22,24-25H,1,4-6,11-14H2,2H3/t17-,18-,19+,20+,21-,22+/m1/s1
InChIKey JNCYAGPOOCTUJD-OGVIVNNGSA-N
Mol Weight 420.5 g/mol
Molecular Formula C23H32O7
Exact Mass 420.214803 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID LS1mUYlUXVO
Name (+)-6-O-Allyl1-O-(p-methoxybenzyl)-2,3-O-cyclohexylidene-myo-inositol
Alternate Name(s) (3aR,4R,5S,6R,7R,7aS)-4-[(4-methoxyphenyl)methoxy]-5-(prop-2-en-1-yloxy)-hexahydrospiro[1,3-benzodioxole-2,1'-cyclohexane]-6,7-diol
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C23H32O7
InChI InChI=1S/C23H32O7/c1-3-13-27-19-17(24)18(25)20-22(30-23(29-20)11-5-4-6-12-23)21(19)28-14-15-7-9-16(26-2)10-8-15/h3,7-10,17-22,24-25H,1,4-6,11-14H2,2H3/t17-,18-,19+,20+,21-,22+/m1/s1
InChIKey JNCYAGPOOCTUJD-OGVIVNNGSA-N
Molecular Weight 420.502 g/mol
SMILES O[C@]1([C@]2([C@@]([C@@]([C@]([C@@]1(O)[H])(OCC=C)[H])(OCc1ccc(cc1)OC)[H])(OC1(O2)CCCCC1)[H])[H])[H]
SPLASH splash10-00di-0900000000-2a143a35f73db365e30a
Source of Spectrum J-63-5436-26
Wiley ID 1377971