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(1'S,2'S)-Methyl 6-deoxy-3,4-O-(1',2'-dimethoxycyclohexane-1',2'-diyl)-6-iodo-alpha.,D-mannopyranoside
SpectraBase Compound ID Aonoubp4hED
InChI InChI=1S/C15H25IO7/c1-18-13-10(17)12-11(9(8-16)21-13)22-14(19-2)6-4-5-7-15(14,20-3)23-12/h9-13,17H,4-8H2,1-3H3/t9-,10+,11-,12-,13+,14+,15+/m1/s1
InChIKey MPQDKTWCFFYIND-NNEGLZRWSA-N
Mol Weight 444.26 g/mol
Molecular Formula C15H25IO7
Exact Mass 444.064498 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID HA60NjlBFyy
Name (1'S,2'S)-Methyl 6-deoxy-3,4-O-(1',2'-dimethoxycyclohexane-1',2'-diyl)-6-iodo-alpha.,D-mannopyranoside
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Formula C15H25IO7
InChI InChI=1S/C15H25IO7/c1-18-13-10(17)12-11(9(8-16)21-13)22-14(19-2)6-4-5-7-15(14,20-3)23-12/h9-13,17H,4-8H2,1-3H3/t9-,10+,11-,12-,13+,14+,15+/m1/s1
InChIKey MPQDKTWCFFYIND-NNEGLZRWSA-N
Molecular Weight 444.262 g/mol
SMILES O[C@]1([C@@]2([C@](O[C@@]3([C@](O2)(OC)CCCC3)OC)([C@@](CI)(O[C@@]1(OC)[H])[H])[H])[H])[H]
SPLASH splash10-000x-0930600000-3a27732a7d8b9b27878d
Source of Spectrum KC-0-361-39
Synonyms (1S,3S,4S,4aR,5aS,9aS,10aS)-1-(iodomethyl)-3,5a,9a-trimethoxydecahydro-1H-pyrano[3,4-b][1,4]benzodioxin-4-ol
Wiley ID 787234