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D-gluco-Heptose, 2,6,7-trideoxy-5-O-[(4-methoxyphenyl)methyl]-2-methyl-4-C-methyl-3,4-O-(1-methylethylidene)-
SpectraBase Compound ID 7uZuPbCaaBQ
InChI InChI=1S/C20H30O5/c1-7-17(23-13-15-8-10-16(22-6)11-9-15)20(5)18(14(2)12-21)24-19(3,4)25-20/h8-12,14,17-18H,7,13H2,1-6H3/t14-,17-,18-,20+/m0/s1
InChIKey BMRNOURWSGJILL-PRIDNEQBSA-N
Mol Weight 350.46 g/mol
Molecular Formula C20H30O5
Exact Mass 350.209324 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 6q5aJoRG44C
Name D-gluco-Heptose, 2,6,7-trideoxy-5-O-[(4-methoxyphenyl)methyl]-2-methyl-4-C-methyl-3,4-O-(1-methylethylidene)-
CAS Registry Number 98003-96-4
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C20H30O5
InChI InChI=1S/C20H30O5/c1-7-17(23-13-15-8-10-16(22-6)11-9-15)20(5)18(14(2)12-21)24-19(3,4)25-20/h8-12,14,17-18H,7,13H2,1-6H3/t14-,17-,18-,20+/m0/s1
InChIKey BMRNOURWSGJILL-PRIDNEQBSA-N
Molecular Weight 350.455 g/mol
SMILES [C@@]1([C@@](OC(O1)(C)C)([C@](C=O)(C)[H])[H])([C@@](OCc1ccc(cc1)OC)(CC)[H])C
SPLASH splash10-00di-0900000000-88908692bed05d455cf2
Source of Spectrum KC-1985-13-21
Synonyms (2R,3R,4R,5R)-3,4-O-isopropylidene-5-(4-methoxybenzyloxy-2,4-dimethylheptanal[2,6,7-trideoxy-3,4-O-isopropylidene-5-O-(4-methoxybezyl)-2,4-di-c-methyl-D-gluco-heptose 2,6,7-trideoxy-5-O-(4-methoxybenzyl)-2-methyl-4-C-methyl-3,4-O-(1-methylethylidene)-L-talo-heptose
Wiley ID 1342007