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(2S,3R,4aS,6R,7R,8S,8aS)-7,8-Bis(benzyloxy)-6-[(benzyloxy)methyl]-2-(but-3-en-1-yl)-3-methyloctahydropyrano[3,2-b]pyran-3-ol
SpectraBase Compound ID 6PepCQjuQbk
InChI InChI=1S/C35H42O6/c1-3-4-20-31-35(2,36)21-29-33(41-31)34(39-24-28-18-12-7-13-19-28)32(38-23-27-16-10-6-11-17-27)30(40-29)25-37-22-26-14-8-5-9-15-26/h3,5-19,29-34,36H,1,4,20-25H2,2H3/t29-,30+,31-,32+,33-,34-,35+/m0/s1
InChIKey BWDVWXMLHKBSOU-OAWRKMITSA-N
Mol Weight 558.7 g/mol
Molecular Formula C35H42O6
Exact Mass 558.298139 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID DaWuI5qEr3T
Name (2S,3R,4aS,6R,7R,8S,8aS)-7,8-Bis(benzyloxy)-6-[(benzyloxy)methyl]-2-(but-3-en-1-yl)-3-methyloctahydropyrano[3,2-b]pyran-3-ol
Appearance Clear oil
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C35H42O6
InChI InChI=1S/C35H42O6/c1-3-4-20-31-35(2,36)21-29-33(41-31)34(39-24-28-18-12-7-13-19-28)32(38-23-27-16-10-6-11-17-27)30(40-29)25-37-22-26-14-8-5-9-15-26/h3,5-19,29-34,36H,1,4,20-25H2,2H3/t29-,30+,31-,32+,33-,34-,35+/m0/s1
InChIKey BWDVWXMLHKBSOU-OAWRKMITSA-N
Instrument Name FISSONS VG Autospec
Ionization Type EI
Literature Reference DOI 10.1002/hlca.201900161
Molecular Weight 558.715 g/mol
Optical Rotation [a]D24 = +9.3 (c = 0.85, CHCl3)
Reported Formula C34H42O6
SMILES O[C@]1([C@@](O[C@]2([C@@](O[C@@]([C@]([C@@]2(OCc2ccccc2)[H])(OCc2ccccc2)[H])(COCc2ccccc2)[H])(C1)[H])[H])(CCC=C)[H])C
SPLASH splash10-0006-9110000000-4527655549f592bcd339
Source of Spectrum H-102-12-32
Thin-Layer Chromatography Rf = 0.32 (Et2O/hexane, 1:1)
Wiley ID 1837094