| SpectraBase Spectrum ID |
9fjcOiuZvhA |
| Name |
trehalose, 8TMS |
| Alternate Name(s) |
Mycose, 8TMS
Ergot sugar, 8TMS
alpha-Trehalose, 8TMS
alpha-D-Trehalose, 8TMS
Trehaose, 8TMS
(2R,3S,4S,5R,6R)-2-(hydroxymethyl)-6-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxane-3,4,5-triol, 8TMS |
| Comments |
Derivatization type: 8 TMS (mass: 918.432); CC-BY: Oliver Fiehn, University of California, Davis; MoNA-ID: FiehnLib001081; Note: The molecular formula of the structure shown is C12H22O11 - which differs from the formula reported for the mass spectrum (C36H86O11Si8) |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C36H86O11Si8 |
| InChI |
InChI=1S/C36H86O11Si8/c1-48(2,3)37-25-27-29(42-50(7,8)9)31(44-52(13,14)15)33(46-54(19,20)21)35(39-27)41-36-34(47-55(22,23)24)32(45-53(16,17)18)30(43-51(10,11)12)28(40-36)26-38-49(4,5)6/h27-36H,25-26H2,1-24H3/t27-,28-,29-,30-,31+,32+,33-,34-,35-,36-/m1/s1 |
| InChIKey |
YQFZNYCPHIXROS-XPMTUQOHSA-N |
| Molecular Weight |
919.753 g/mol |
| SMILES |
C([C@@]1([C@]([C@@]([C@]([C@](O1)(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])(O[Si](C)(C)C)[H])(O[Si](C)(C)C)[H])[H])O[Si](C)(C)C |
| SPLASH |
splash10-0i2d-0921000000-9e633378baf1645df2a1 |
| Source of Spectrum |
FM-2019-1081-0 |
| Wiley ID |
1818739 |
