1,2-o-Isopropylidene-3-o-benzyl-4,5-o-[(1'R)-cis-3'-phenyl-2'-propen-1'-yl]-.beta.-D-fluctopyranose

SpectraBase Compound ID	6FBVYwIIvNE
InChI	InChI=1S/C25H28O6/c1-24(2)28-17-25(31-24)23(26-15-19-11-7-4-8-12-19)22-20(16-27-25)29-21(30-22)14-13-18-9-5-3-6-10-18/h3-14,20-23H,15-17H2,1-2H3/b14-13+/t20-,21-,22+,23?,25+/m1/s1
InChIKey	LYHGZAOFDNKFLA-HIQNPOIPSA-N Google Search
Mol Weight	424.49 g/mol
Molecular Formula	C25H28O6
Exact Mass	424.188589 g/mol

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SpectraBase Spectrum ID	ILtv9kNRk64
Name	1,2-o-Isopropylidene-3-o-benzyl-4,5-o-[(1'R)-cis-3'-phenyl-2'-propen-1'-yl]-.beta.-D-fluctopyranose
Comments	Computed using SmartSpectra Model v1.42
Copyright	Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass	424.188588616 u
Formula	C25H28O6
InChI	InChI=1S/C25H28O6/c1-24(2)28-17-25(31-24)23(26-15-19-11-7-4-8-12-19)22-20(16-27-25)29-21(30-22)14-13-18-9-5-3-6-10-18/h3-14,20-23H,15-17H2,1-2H3/b14-13+/t20-,21-,22+,23?,25+/m1/s1
InChIKey	LYHGZAOFDNKFLA-HIQNPOIPSA-N
Molecular Weight	424.493 g/mol
SMILES	[C@]12(C([C@]3(O[C@](\C=C\C4=CC=CC=C4)(O[C@@]3(CO1)[H])[H])[H])OCC1=CC=CC=C1)OC(C)(C)OC2
Spectrum/Structure Validation Score (Vapor Phase IR)	0.949015