| SpectraBase Spectrum ID |
HXO3SdoEQsJ |
| Name |
maltotriitol, 12TMS |
| Alternate Name(s) |
Maltotriitol, 12TMS
EINECS 251-265-6, 12TMS
O-alpha-D-Glucopyranosyl-(1.4)-O-alpha-D-glucopyranosyl-(1.4)-D-glucitol, 12TMS
32860-62-1, 12TMS
(2S,3R,5R)-4-[(2R,3R,5S,6R)-3,4-dihydroxy-6-(hydroxymethyl)-5-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxyhexane-1,2,3,5,6-pentol, 12TMS
(5R,7S,8S)-6-(((2R,3R,5R,6R)-3,4-bis((trimethylsilyl)oxy)-6-(((trimethylsilyl)oxy)methyl)-5-(((2R,3R,4S,5R,6R)-3,4,5-tris((trimethylsilyl)oxy)-6-(((trimethylsilyl)oxy)methyl)tetrahydro-2H-pyran-2-yl)oxy)tetrahydro-2H-pyran-2-yl)oxy)-2,2,11,11-tetramethyl-5,7,8-tris((trimethylsilyl)oxy)-3,10-dioxa-2,11-disiladodecane |
| Comments |
Derivatization type: 12 TMS (mass: 1370.659); CC-BY: Oliver Fiehn, University of California, Davis; MoNA-ID: FiehnLib000623; Note: The molecular formula of the structure shown is C18H34O16 - which differs from the formula reported for the mass spectrum (C54H130O16Si12) |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C54H130O16Si12 |
| InChI |
InChI=1S/C54H130O16Si12/c1-71(2,3)55-37-41-45(61-54-52(70-82(34,35)36)50(68-80(28,29)30)47(65-77(19,20)21)42(60-54)38-56-72(4,5)6)49(67-79(25,26)27)51(69-81(31,32)33)53(59-41)62-46(43(63-75(13,14)15)39-57-73(7,8)9)48(66-78(22,23)24)44(64-76(16,17)18)40-58-74(10,11)12/h41-54H,37-40H2,1-36H3/t41-,42-,43-,44+,45-,46?,47-,48-,49?,50+,51-,52-,53-,54-/m1/s1 |
| InChIKey |
ARPOAHTZGMXYRP-KUERWZKKSA-N |
| Molecular Weight |
1372.638 g/mol |
| SMILES |
C([C@@]([C@](C([C@@](CO[Si](C)(C)C)(O[Si](C)(C)C)[H])O[C@@]1([C@@](C([C@@]([C@@](CO[Si](C)(C)C)(O1)[H])(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)(O[Si](C)(C)C)[H])[H])(O[Si](C)(C)C)[H])(O[Si](C)(C)C)[H])O[Si](C)(C)C |
| SPLASH |
splash10-0uxr-0972000000-cde48fab0339885a1fd5 |
| Source of Spectrum |
FM-2019-623-0 |
| Wiley ID |
1818304 |
