| SpectraBase Spectrum ID |
CPCh3dd0Y8Y |
| Name |
melezitose, 11TMS |
| Alternate Name(s) |
Melezitose, 11TMS
Melizitose, 11TMS
D-Melezitose, 11TMS
D-(+)-Melezitose, 11TMS
CHEBI:6731, 11TMS
NSC2080, 11TMS
(2R,3R,4S,5S,6R)-2-[(2S,3S,4R,5R)-4-hydroxy-2,5-bis(hydroxymethyl)-3-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxolan-2-yl]oxy-6-(hydroxymethyl)oxane-3,4,5-triol, 11TMS |
| Comments |
Derivatization type: 11 TMS (mass: 1296.604); CC-BY: Oliver Fiehn, University of California, Davis; MoNA-ID: FiehnLib000363; Note: The molecular formula of the structure shown is C18H32O16 - which differs from the formula reported for the mass spectrum (C51H120O16Si11) |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C51H120O16Si11 |
| InChI |
InChI=1S/C51H120O16Si11/c1-68(2,3)52-34-38-41(61-72(13,14)15)44(64-75(22,23)24)46(66-77(28,29)30)49(56-38)58-48-43(63-74(19,20)21)40(36-54-70(7,8)9)59-51(48,37-55-71(10,11)12)60-50-47(67-78(31,32)33)45(65-76(25,26)27)42(62-73(16,17)18)39(57-50)35-53-69(4,5)6/h38-50H,34-37H2,1-33H3/t38-,39-,40-,41-,42-,43-,44+,45+,46-,47-,48+,49-,50-,51+/m1/s1 |
| InChIKey |
XGLGJEYXDSXZPD-DGJCSSRWSA-N |
| Molecular Weight |
1298.440 g/mol |
| SMILES |
C([C@@]1([C@]([C@@]([C@]([C@](O1)(O[C@]1([C@@]([C@@](CO[Si](C)(C)C)(O[C@@]1(CO[Si](C)(C)C)O[C@@]1([C@@]([C@]([C@@]([C@@](CO[Si](C)(C)C)(O1)[H])(O[Si](C)(C)C)[H])(O[Si](C)(C)C)[H])(O[Si](C)(C)C)[H])[H])[H])(O[Si](C)(C)C)[H])[H])[H])(O[Si](C)(C)C)[H])(O[Si](C)(C)C)[H])(O[Si](C)(C)C)[H])[H])O[Si](C)(C)C |
| SPLASH |
splash10-0wmi-0942000000-7e0c4e11c584463d3f19 |
| Source of Spectrum |
FM-2019-363-0 |
| Wiley ID |
1818050 |
