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(2S,4aS,6R,7R,8S,8aS)-7,8-bis(benzyloxy)-6-(benzyloxymethyl)-2-(but-3-enyl)hexahydropyrano[3,2-b]pyran-3(2H)-one
SpectraBase Compound ID RFYo4Kjtpi
InChI InChI=1S/C34H38O6/c1-2-3-19-29-28(35)20-30-33(40-29)34(38-23-27-17-11-6-12-18-27)32(37-22-26-15-9-5-10-16-26)31(39-30)24-36-21-25-13-7-4-8-14-25/h2,4-18,29-34H,1,3,19-24H2/t29-,30-,31+,32+,33-,34-/m0/s1
InChIKey ODHQSEKFBAXPOB-XQBMAHTHSA-N
Mol Weight 542.7 g/mol
Molecular Formula C34H38O6
Exact Mass 542.266839 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID FyWIUg7emPa
Name (2S,4aS,6R,7R,8S,8aS)-7,8-bis(benzyloxy)-6-(benzyloxymethyl)-2-(but-3-enyl)hexahydropyrano[3,2-b]pyran-3(2H)-one
Appearance White solid
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C34H38O6
InChI InChI=1S/C34H38O6/c1-2-3-19-29-28(35)20-30-33(40-29)34(38-23-27-17-11-6-12-18-27)32(37-22-26-15-9-5-10-16-26)31(39-30)24-36-21-25-13-7-4-8-14-25/h2,4-18,29-34H,1,3,19-24H2/t29-,30-,31+,32+,33-,34-/m0/s1
InChIKey ODHQSEKFBAXPOB-XQBMAHTHSA-N
Instrument Name FISSONS VG Autospec
Ionization Type EI
Literature Reference DOI 10.1002/hlca.201900161
Molecular Weight 542.672 g/mol
Optical Rotation [a]D21 = +1.93 (c = 1.05, CHCl3)
Reported Formula C34H38O6
SMILES [C@]1(O[C@@]2([C@@]([C@]([C@@]1(OCc1ccccc1)[H])(OCc1ccccc1)[H])(O[C@](C(C2)=O)(CCC=C)[H])[H])[H])(COCc1ccccc1)[H]
SPLASH splash10-0006-9000000000-6f66b87501ac3f7ee82d
Source of Spectrum H-102-10-10-3
Thin-Layer Chromatography Rf = 0.72 (Et2O/hexane, 1:1)
Wiley ID 1837087