| SpectraBase Spectrum ID |
CdRZHi9qEyR |
| Name |
Sucrose, 11TMS |
| Classification |
O-glycosyl compounds |
| Copyright |
Database Compilation Copyright © 2023-2024 John Wiley and Sons, Inc. Copyright © 2023-2024 John Wiley and Sons, Inc., Portions Copyright Wiley-VCH GmbH, Adams Library under license from Diablo Analytical. All Rights Reserved. |
| Exact Mass |
342.116211517 u |
| Formula |
C12H22O11 |
| 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 |
| Nominal Mass |
342 u |
| Number of Peaks |
232 |
| 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 |
| Sample Description |
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) |
| Source of Spectrum |
FM-2019-146-0 |
| Synonyms |
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 |
| Wiley ID |
1817839 |
