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Methyl 2,6-di-O-benzoyl-3,4-O-(1',2'-dimethoxycyclohexane-1',2'-diyl)-.alpha.,D-mannopyranoside
SpectraBase Compound ID A9YI7L4sXAG
InChI InChI=1S/C29H34O10/c1-32-27-24(37-26(31)20-14-8-5-9-15-20)23-22(21(36-27)18-35-25(30)19-12-6-4-7-13-19)38-28(33-2)16-10-11-17-29(28,34-3)39-23/h4-9,12-15,21-24,27H,10-11,16-18H2,1-3H3/t21-,22-,23+,24+,27+,28?,29?/m1/s1
InChIKey RKVMYFSSJAOIQX-SOMJJEOUSA-N
Mol Weight 542.6 g/mol
Molecular Formula C29H34O10
Exact Mass 542.215197 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID G4suMLlZ1LZ
Name Methyl 2,6-di-O-benzoyl-3,4-O-(1',2'-dimethoxycyclohexane-1',2'-diyl)-.alpha.,D-mannopyranoside
Alternate Name(s) (1'S,2'S)-Methyl 2,6-di-O-benzoyl-3,4-O-(1',2'-dimethoxycyclohexane-1',2'-diyl)-.alpha.,D-mannopyranoside (1R,3S,4S,4aS,10aR)-1-[(benzoyloxy)methyl]-3,5a,9a-trimethoxydecahydro-1H-pyrano[3,4-b][1,4]benzodioxin-4-yl benzoate
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Formula C29H34O10
InChI InChI=1S/C29H34O10/c1-32-27-24(37-26(31)20-14-8-5-9-15-20)23-22(21(36-27)18-35-25(30)19-12-6-4-7-13-19)38-28(33-2)16-10-11-17-29(28,34-3)39-23/h4-9,12-15,21-24,27H,10-11,16-18H2,1-3H3/t21-,22-,23+,24+,27+,28?,29?/m1/s1
InChIKey RKVMYFSSJAOIQX-SOMJJEOUSA-N
Molecular Weight 542.581 g/mol
SMILES [C@@]12([C@@]([C@@](OC)(O[C@@]([C@]2(OC2(C(O1)(OC)CCCC2)OC)[H])(COC(=O)c1ccccc1)[H])[H])(OC(=O)c1ccccc1)[H])[H]
SPLASH splash10-056r-2800090000-da5d4f94a1e56f574a5f
Source of Spectrum KC-0-362-45
Wiley ID 787228