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D-gluco-Heptitol, 2,6,7-trideoxy-5-O-[(4-methoxyphenyl)methyl]-2-methyl-4-C-methyl-3,4-O-(1-methylethylidene)-, benzoate
SpectraBase Compound ID BcmMqlIwhCK
InChI InChI=1S/C27H36O6/c1-7-23(30-18-20-13-15-22(29-6)16-14-20)27(5)24(32-26(3,4)33-27)19(2)17-31-25(28)21-11-9-8-10-12-21/h8-16,19,23-24H,7,17-18H2,1-6H3/t19-,23-,24-,27+/m0/s1
InChIKey DGYSWAJVKVZFHC-HVLXEHQLSA-N
Mol Weight 456.6 g/mol
Molecular Formula C27H36O6
Exact Mass 456.251189 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 39hdEqZW7uy
Name D-gluco-Heptitol, 2,6,7-trideoxy-5-O-[(4-methoxyphenyl)methyl]-2-methyl-4-C-methyl-3,4-O-(1-methylethylidene)-, benzoate
CAS Registry Number 98003-94-2
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C27H36O6
InChI InChI=1S/C27H36O6/c1-7-23(30-18-20-13-15-22(29-6)16-14-20)27(5)24(32-26(3,4)33-27)19(2)17-31-25(28)21-11-9-8-10-12-21/h8-16,19,23-24H,7,17-18H2,1-6H3/t19-,23-,24-,27+/m0/s1
InChIKey DGYSWAJVKVZFHC-HVLXEHQLSA-N
Molecular Weight 456.579 g/mol
SMILES [C@@]1([C@@](OC(O1)(C)C)([C@](COC(=O)c1ccccc1)(C)[H])[H])([C@@](OCc1ccc(cc1)OC)(CC)[H])C
SPLASH splash10-06di-0970000000-ad49e563244f1dc2e115
Source of Spectrum KC-1985-12-19
Synonyms (2S,3R,4R,5R)-1-benzoyloxy-3,4-isopropylidenedioxy-5-(4-methoxybenzyloxy-2,4-dimethylheptane[1-O-benzoyl-2,6,7-trideoxy-3,4-O-isopropylidene-5-O-(4-methoxybenzyl)-2,4-di-c-methyl-D-gluco-heptitol 7-O-benzoyl-1,2,6-trideoxy-3-O-(4-methoxybenzyl)-6-methyl-4-C-methyl-4,5-O-(1-methylethylidene)-L-altro-heptitol
Wiley ID 1389367