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(1'S,2'S)-Methyl 3,4-O-(1',2'-dimethoxycycloheptane-1',2'-diyl)-.alpha.,D-mannopyranoside
SpectraBase Compound ID 2UlvpXDCvq1
InChI InChI=1S/C16H28O8/c1-19-14-11(18)13-12(10(9-17)22-14)23-15(20-2)7-5-4-6-8-16(15,21-3)24-13/h10-14,17-18H,4-9H2,1-3H3/t10-,11+,12-,13-,14+,15+,16+/m1/s1
InChIKey JTELQUHDFVWULZ-QKMYFLCJSA-N
Mol Weight 348.39 g/mol
Molecular Formula C16H28O8
Exact Mass 348.178418 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 1AfIJEo7k7D
Name (1'S,2'S)-Methyl 3,4-O-(1',2'-dimethoxycycloheptane-1',2'-diyl)-.alpha.,D-mannopyranoside
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C16H28O8
InChI InChI=1S/C16H28O8/c1-19-14-11(18)13-12(10(9-17)22-14)23-15(20-2)7-5-4-6-8-16(15,21-3)24-13/h10-14,17-18H,4-9H2,1-3H3/t10-,11+,12-,13-,14+,15+,16+/m1/s1
InChIKey JTELQUHDFVWULZ-QKMYFLCJSA-N
Molecular Weight 348.392 g/mol
SMILES OC[C@@]1([C@@]2([C@@]([C@@]([C@](O1)(OC)[H])(O)[H])(O[C@@]1([C@@](O2)(CCCCC1)OC)OC)[H])[H])[H]
SPLASH splash10-0ue9-0709000000-3062e4a5522a55d4cb4e
Source of Spectrum KC-0-2029-21
Synonyms (1R,3S,4S,4aR,5aS,10aS,11aR)-1-(hydroxymethyl)-3,5a,10a-trimethoxydecahydro-1H,5aH-cyclohepta[b]pyrano[3,4-e][1,4]dioxin-4-ol
Wiley ID 822785