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DL-3-O-(Prop-1-enyl)-1-O-(p-methoxybenzyl)-2,6-di-O-benzyl-4,5-O-isopropylidene-myo-inositol
SpectraBase Compound ID Gu1LGGyCReX
InChI InChI=1S/C34H40O7/c1-5-20-36-30-28(37-21-24-12-8-6-9-13-24)29(38-23-26-16-18-27(35-4)19-17-26)31(33-32(30)40-34(2,3)41-33)39-22-25-14-10-7-11-15-25/h5-20,28-33H,21-23H2,1-4H3/b20-5+/t28-,29+,30-,31-,32+,33+/m1/s1
InChIKey MJAAVDLJKRHFSW-BQIMAEFRSA-N
Mol Weight 560.7 g/mol
Molecular Formula C34H40O7
Exact Mass 560.277404 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 5VA3RK5gkct
Name DL-3-O-(Prop-1-enyl)-1-O-(p-methoxybenzyl)-2,6-di-O-benzyl-4,5-O-isopropylidene-myo-inositol
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C34H40O7
InChI InChI=1S/C34H40O7/c1-5-20-36-30-28(37-21-24-12-8-6-9-13-24)29(38-23-26-16-18-27(35-4)19-17-26)31(33-32(30)40-34(2,3)41-33)39-22-25-14-10-7-11-15-25/h5-20,28-33H,21-23H2,1-4H3/b20-5+/t28-,29+,30-,31-,32+,33+/m1/s1
InChIKey MJAAVDLJKRHFSW-BQIMAEFRSA-N
Molecular Weight 560.687 g/mol
SMILES [C@@]12([C@]([C@](O\C=C\C)([C@@]([C@@]([C@]2(OCc2ccccc2)[H])(OCc2ccc(cc2)OC)[H])(OCc2ccccc2)[H])[H])(OC(O1)(C)C)[H])[H]
SPLASH splash10-00dl-8930100000-62271b79cc3e437c1971
Source of Spectrum J-62-8339-15
Synonyms (3aS,4R,5S,6R,7R,7aS)-4,6-bis(benzyloxy)-5-[(4-methoxybenzyl)oxy]-2,2-dimethyl-7-[(1E)-1-propenyloxy]hexahydro-1,3-benzodioxole
Wiley ID 1406787