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(2R,3S,4aS,6R,7R,8S,8aS)-7,8-bis(benzyloxy)-6-(benzyloxymethyl)-2-(but-3-enyl)octahydropyrano[3,2-b]pyran-3-ol
SpectraBase Compound ID 9gi4EBUBOFr
InChI InChI=1S/C34H40O6/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/h2,4-18,28-35H,1,3,19-24H2/t28-,29+,30-,31+,32+,33-,34-/m0/s1
InChIKey OMRYNMQVBAFMHV-QGJVBYATSA-N
Mol Weight 544.7 g/mol
Molecular Formula C34H40O6
Exact Mass 544.282489 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID EsPMONKshYX
Name (2R,3S,4aS,6R,7R,8S,8aS)-7,8-bis(benzyloxy)-6-(benzyloxymethyl)-2-(but-3-enyl)octahydropyrano[3,2-b]pyran-3-ol
Appearance White solid
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C34H40O6
InChI InChI=1S/C34H40O6/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/h2,4-18,28-35H,1,3,19-24H2/t28-,29+,30-,31+,32+,33-,34-/m0/s1
InChIKey OMRYNMQVBAFMHV-QGJVBYATSA-N
Instrument Name FISSONS VG Autospec
Ionization Type EI
Literature Reference DOI 10.1002/hlca.201900161
Molecular Weight 544.688 g/mol
Optical Rotation [a]D23 = +15.3 (c = 0.63, CHCl3)
Reported Formula C34H40O6
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])[H]
SPLASH splash10-0006-9000040000-f5ed1f3f189977a91800
Source of Spectrum H-102-10-29b
Thin-Layer Chromatography Rf = 0.18 (Et2O/hexane, 1:1)
Wiley ID 1837092