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D-gluco-Heptitol, 2,6,7-trideoxy-5-O-[(4-methoxyphenyl)methyl]-2-methyl-4-C-methyl-, 1-benzoate
SpectraBase Compound ID 5MYbRqlM4PP
InChI InChI=1S/C24H32O6/c1-5-21(29-16-18-11-13-20(28-4)14-12-18)24(3,27)22(25)17(2)15-30-23(26)19-9-7-6-8-10-19/h6-14,17,21-22,25,27H,5,15-16H2,1-4H3/t17-,21+,22+,24+/m0/s1
InChIKey CLTCPNUTZZVKLQ-MWWCJSOGSA-N
Mol Weight 416.5 g/mol
Molecular Formula C24H32O6
Exact Mass 416.219889 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID KB6RCRaJY30
Name D-gluco-Heptitol, 2,6,7-trideoxy-5-O-[(4-methoxyphenyl)methyl]-2-methyl-4-C-methyl-, 1-benzoate
CAS Registry Number 98003-93-1
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C24H32O6
InChI InChI=1S/C24H32O6/c1-5-21(29-16-18-11-13-20(28-4)14-12-18)24(3,27)22(25)17(2)15-30-23(26)19-9-7-6-8-10-19/h6-14,17,21-22,25,27H,5,15-16H2,1-4H3/t17-,21+,22+,24+/m0/s1
InChIKey CLTCPNUTZZVKLQ-MWWCJSOGSA-N
Molecular Weight 416.514 g/mol
SMILES O[C@@]([C@@]([C@](OCc1ccc(cc1)OC)(CC)[H])(O)C)([C@](COC(=O)c1ccccc1)(C)[H])[H]
SPLASH splash10-00di-0910000000-19fe49383d3ebe262d95
Source of Spectrum KC-1985-12-18
Synonyms (2S,3R,4S,5R)-1-Benzyloxy-2,4-dimethyl-5-(4-methoxybenzyloxy)heptan-3,4-diol (2S,3R,4R,5R)-1-Benzyloxy-2,4-dimethyl-5-(4-methoxybenzyloxy)heptan-3,4-diol (2S,3R,4S,5R)-1-benzoyloxy-3,4-dihydroxy-5-(4-methoxy-benzyloxy)-2,4-dimethylheptane[1-O-benzoyl-2,6,7-trideoxy-5-O-(4-methoxybenzyl)-2,4-di-c-methyl-D-gluco-heptitol 1-O-benzoyl-2,6,7-trideoxy-5-O-(4-methoxybenzyl)-2-methyl-4-C-methyl-D-gluco-heptitol
Wiley ID 1376435