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(+)-3,4-Di-O-allyl-5,6-di-O-benzyl-1-O-(p-methoxybenzyl)-myo-insitol
SpectraBase Compound ID qzzJIt4a3f
InChI InChI=1S/C34H40O7/c1-4-20-37-30-29(35)31(39-24-27-16-18-28(36-3)19-17-27)33(40-22-25-12-8-6-9-13-25)34(32(30)38-21-5-2)41-23-26-14-10-7-11-15-26/h4-19,29-35H,1-2,20-24H2,3H3/t29-,30+,31-,32-,33+,34+/m1/s1
InChIKey PLBCAEAKDKHTQJ-VREUDQTFSA-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 1HBWXubojaZ
Name (+)-3,4-Di-O-allyl-5,6-di-O-benzyl-1-O-(p-methoxybenzyl)-myo-insitol
Alternate Name(s) (1R,2S,3R,4S,5S,6R)-2,3-Bis-allyloxy-4,5-bis-benzyloxy-6-(4-methoxy-benzyloxy)-cyclohexanol (1S,3S,4R,5S,6S)-3,4-bis(benzyloxy)-2-[(4-methoxybenzyl)oxy]-5,6-bis[(1E)-1-propenyloxy]cyclohexanol
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C34H40O7
InChI InChI=1S/C34H40O7/c1-4-20-37-30-29(35)31(39-24-27-16-18-28(36-3)19-17-27)33(40-22-25-12-8-6-9-13-25)34(32(30)38-21-5-2)41-23-26-14-10-7-11-15-26/h4-19,29-35H,1-2,20-24H2,3H3/t29-,30+,31-,32-,33+,34+/m1/s1
InChIKey PLBCAEAKDKHTQJ-VREUDQTFSA-N
Molecular Weight 560.687 g/mol
SMILES O[C@]1([C@]([C@@]([C@]([C@@]([C@]1(OCC=C)[H])(OCC=C)[H])(OCc1ccccc1)[H])(OCc1ccccc1)[H])(OCc1ccc(cc1)OC)[H])[H]
SPLASH splash10-00di-0900020000-9f41319734d5463bbaa4
Source of Spectrum J-61-5909-16
Wiley ID 1406786