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D-gluco-Heptitol, 2,6,7-trideoxy-5-O-[(4-methoxyphenyl)methyl]-2-methyl-4-C-methyl-
SpectraBase Compound ID WxXqbRNmWv
InChI InChI=1S/C17H28O5/c1-5-15(17(3,20)16(19)12(2)10-18)22-11-13-6-8-14(21-4)9-7-13/h6-9,12,15-16,18-20H,5,10-11H2,1-4H3/t12-,15+,16+,17+/m0/s1
InChIKey USNQXCQIPRNKQC-WBQNTZJQSA-N
Mol Weight 312.41 g/mol
Molecular Formula C17H28O5
Exact Mass 312.193674 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 6hWU26HZzPH
Name D-gluco-Heptitol, 2,6,7-trideoxy-5-O-[(4-methoxyphenyl)methyl]-2-methyl-4-C-methyl-
CAS Registry Number 98049-27-5
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C17H28O5
InChI InChI=1S/C17H28O5/c1-5-15(17(3,20)16(19)12(2)10-18)22-11-13-6-8-14(21-4)9-7-13/h6-9,12,15-16,18-20H,5,10-11H2,1-4H3/t12-,15+,16+,17+/m0/s1
InChIKey USNQXCQIPRNKQC-WBQNTZJQSA-N
Molecular Weight 312.406 g/mol
SMILES OC[C@@]([C@]([C@@]([C@](OCc1ccc(cc1)OC)(CC)[H])(O)C)(O)[H])(C)[H]
SPLASH splash10-00di-0900000000-c9c028265da23e3c8dfe
Source of Spectrum KC-1985-12-16
Synonyms (2S,3R,4S,5R)-1,3,4-trihydroxy-5-(4-methoxybenzyloxy)-2,4-dimethylheptane 2,6,7-Trideoxy-5-O-(4-methoxybenzyl)-2,4-di-c-methyl-D-gluco-heptitol 2,6,7-trideoxy-5-O-(4-methoxybenzyl)-2-methyl-4-C-methyl-D-gluco-heptitol
Wiley ID 1313270