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(2S,3S,4R,5R,6R)-4,5-Bis(benzyloxy)-6-[(benzyloxy)methyl]-2-(prop-2-en-1-yl)oxan-3-ol
SpectraBase Compound ID E4ERo7myyjx
InChI InChI=1S/C30H34O5/c1-2-12-26-28(31)30(34-21-25-17-10-5-11-18-25)29(33-20-24-15-8-4-9-16-24)27(35-26)22-32-19-23-13-6-3-7-14-23/h2-11,13-18,26-31H,1,12,19-22H2/t26-,27+,28-,29+,30+/m0/s1
InChIKey UYWKXHISDGPRTR-PGVCKJCBSA-N
Mol Weight 474.6 g/mol
Molecular Formula C30H34O5
Exact Mass 474.240624 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 82TUCSkNoGK
Name (2S,3S,4R,5R,6R)-4,5-Bis(benzyloxy)-6-[(benzyloxy)methyl]-2-(prop-2-en-1-yl)oxan-3-ol
Appearance White solid
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C30H34O5
InChI InChI=1S/C30H34O5/c1-2-12-26-28(31)30(34-21-25-17-10-5-11-18-25)29(33-20-24-15-8-4-9-16-24)27(35-26)22-32-19-23-13-6-3-7-14-23/h2-11,13-18,26-31H,1,12,19-22H2/t26-,27+,28-,29+,30+/m0/s1
InChIKey UYWKXHISDGPRTR-PGVCKJCBSA-N
Instrument Name FISSONS VG Autospec
Ionization Type EI
Literature Reference DOI 10.1002/hlca.201900161
Molecular Weight 474.597 g/mol
Optical Rotation [a]D20 = +40.8 (c = 1.28, CHCl3)
Reported Formula C30H34O5
SMILES O[C@]1([C@@](O[C@@]([C@]([C@@]1(OCc1ccccc1)[H])(OCc1ccccc1)[H])(COCc1ccccc1)[H])(CC=C)[H])[H]
SPLASH splash10-000x-9104000000-cd3f656b29f9f8cc78df
Source of Spectrum H-102-7-19
Thin-Layer Chromatography Rf = 0.52 (Et2O/hexane, 1:1)
Wiley ID 1837089