2-Isobutyl-4,5-(4,6-o-benzylidene-3-o-(diphenylphosphino)-1,2-dideoxy-alpha-D-glucopyrano)-[2,1-D]-2-oxazoline

SpectraBase Compound ID	7vcBy8iBgTW
InChI	InChI=1S/C30H32NO5P/c1-20(2)18-25-31-26-28(36-37(22-14-8-4-9-15-22)23-16-10-5-11-17-23)27-24(33-30(26)34-25)19-32-29(35-27)21-12-6-3-7-13-21/h3-17,20,24,26-30H,18-19H2,1-2H3/t24-,26-,27-,28-,29-,30-/m1/s1
InChIKey	SJXICKADYDLJEJ-HMDGCWDXSA-N Google Search
Mol Weight	517.6 g/mol
Molecular Formula	C30H32NO5P
Exact Mass	517.20181 g/mol

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SpectraBase Spectrum ID	598hs4G0W67
Name	2-Isobutyl-4,5-(4,6-o-benzylidene-3-o-(diphenylphosphino)-1,2-dideoxy-alpha-D-glucopyrano)-[2,1-D]-2-oxazoline
Comments	Computed using HOSE algorithm
Copyright	Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass	517.201810127 u
Formula	C30H32NO5P
InChI	InChI=1S/C30H32NO5P/c1-20(2)18-25-31-26-28(36-37(22-14-8-4-9-15-22)23-16-10-5-11-17-23)27-24(33-30(26)34-25)19-32-29(35-27)21-12-6-3-7-13-21/h3-17,20,24,26-30H,18-19H2,1-2H3/t24-,26-,27-,28-,29-,30-/m1/s1
InChIKey	SJXICKADYDLJEJ-HMDGCWDXSA-N
Molecular Weight	517.562 g/mol
SMILES	[C@]12(O[C@]3([C@]([C@@]([C@]2(N=C(O1)CC(C)C)[H])(OP(C1=CC=CC=C1)C1=CC=CC=C1)[H])(O[C@@](OC3)(C1=CC=CC=C1)[H])[H])[H])[H]