| SpectraBase Spectrum ID |
Ccbk2ublCmy |
| Name |
melibiose, 8TMS |
| Comments |
Derivatization type: 8 TMS (mass: 936.443); CC-BY: Oliver Fiehn, University of California, Davis; MoNA-ID: FiehnLib000395; 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)38-26-28-30(42-50(7,8)9)31(43-51(10,11)12)33(45-53(16,17)18)35(39-28)37-25-27-29(41-49(4,5)6)32(44-52(13,14)15)34(46-54(19,20)21)36(40-27)47-55(22,23)24/h27-36H,25-26H2,1-24H3/t27-,28-,29-,30+,31+,32+,33-,34-,35+,36?/m1/s1 |
| InChIKey |
SWPQHIFGBMZXPV-VCBSOGLLSA-N |
| Molecular Weight |
919.753 g/mol |
| SMILES |
C([C@@]1([C@@]([C@@]([C@]([C@@](OC[C@@]2([C@]([C@@]([C@](C(O[Si](C)(C)C)O2)(O[Si](C)(C)C)[H])(O[Si](C)(C)C)[H])(O[Si](C)(C)C)[H])[H])(O1)[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 |
splash10-0wmj-0941000000-a42b8ddd325c04e1ac1a |
| Source of Spectrum |
FM-2019-395-0 |
| Synonyms |
6-[[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxymethyl]oxane-2,3,4,5-tetrol hydrate, 8TMS
(((3R,4S,5R,6R)-6-((((2S,3R,4S,5S,6R)-3,4,5-tris((trimethylsilyl)oxy)-6-(((trimethylsilyl)oxy)methyl)tetrahydro-2H-pyran-2-yl)oxy)methyl)tetrahydro-2H-pyran-2,3,4,5-tetrayl)tetrakis(oxy))tetrakis(trimethylsilane) |
| Wiley ID |
1818082 |
