| SpectraBase Compound ID | LXuUsjbdAM0 |
|---|---|
| InChI | InChI=1S/C12H22O11/c13-1-4-6(16)8(18)9(19)11(21-4)23-12(3-15)10(20)7(17)5(2-14)22-12/h4-11,13-20H,1-3H2/t4-,5-,6-,7-,8+,9-,10+,11-,12+/m1/s1 |
| InChIKey | CZMRCDWAGMRECN-UGDNZRGBSA-N |
| Mol Weight | 342.3 g/mol |
| Molecular Formula | C12H22O11 |
| Exact Mass | 342.116212 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | 9qIbB6tjNU |
|---|---|
| Name | Sucrose, 11TMS |
| Alternate Name(s) | saccharose, 11TMS sugar, 11TMS Cane sugar, 11TMS Table sugar, 11TMS Rohrzucker, 11TMS (2R,3R,4S,5S,6R)-2-[(2S,3S,4S,5R)-3,4-dihydroxy-2,5-bis(hydroxymethyl)oxolan-2-yl]oxy-6-(hydroxymethyl)oxane-3,4,5-triol, 11TMS (2R,3R,4S,5S,6R)-2-(((2S,3S,4S,5R)-3,4-dihydroxy-2,5-bis(hydroxymethyl)tetrahydrofuran-2-yl)oxy)-6-(hydroxymethyl)tetrahydro-2H-pyran-3,4,5-triol |
| Comments | Non-derivatized structure shown; Derivatization type: 11 TMS (mass: 1134.551); CC-BY: Oliver Fiehn, University of California, Davis; MoNA-ID: FiehnLib000146; Note: The molecular formula of the structure shown is C12H22O11 - which differs from the formula reported for the mass spectrum (C45H110O11Si11) |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C45H110O11Si11 |
| InChI | InChI=1S/C12H22O11/c13-1-4-6(16)8(18)9(19)11(21-4)23-12(3-15)10(20)7(17)5(2-14)22-12/h4-11,13-20H,1-3H2/t4-,5-,6-,7-,8+,9-,10+,11-,12+/m1/s1 |
| InChIKey | CZMRCDWAGMRECN-UGDNZRGBSA-N |
| Molecular Weight | 342.297 g/mol |
| SMILES | OC[C@]1(O[C@]2(O[C@@]([C@]([C@@]([C@]2(O)[H])(O)[H])(O)[H])(CO)[H])[H])[C@]([C@@]([C@@](CO)(O1)[H])(O)[H])(O)[H] |
| SPLASH | splash10-0i01-0932000000-a84ab9868385a177391a |
| Source of Spectrum | FM-2019-146-0 |
| Wiley ID | 1817839 |