| SpectraBase Spectrum ID |
ESbOOWj4HOz |
| Name |
cellobiitol, 9TMS |
| Comments |
Derivatization type: 9 TMS (mass: 992.488); CC-BY: Oliver Fiehn, University of California, Davis; MoNA-ID: FiehnLib000483; Note: The molecular formula of the structure shown is C12H24O11 - which differs from the formula reported for the mass spectrum (C39H96O11Si9) |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C39H96O11Si9 |
| InChI |
InChI=1S/C39H96O11Si9/c1-51(2,3)40-28-31-35(47-56(16,17)18)37(49-58(22,23)24)38(50-59(25,26)27)39(43-31)44-34(32(45-54(10,11)12)29-41-52(4,5)6)36(48-57(19,20)21)33(46-55(13,14)15)30-42-53(7,8)9/h31-39H,28-30H2,1-27H3/t31-,32-,33+,34-,35-,36-,37+,38-,39+/m1/s1 |
| InChIKey |
DTONBTAGJKRSDD-UWFQRQECSA-N |
| Molecular Weight |
993.951 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[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 |
| SPLASH |
splash10-0uxs-0961000000-3bda5946693e815f4a67 |
| Source of Spectrum |
FM-2019-483-0 |
| Synonyms |
Cellobiotol, 9TMS
Spectrum_001688, 9TMS
SpecPlus_000530, 9TMS
Spectrum2_001613, 9TMS
Spectrum3_000982, 9TMS
Spectrum4_001108, 9TMS
(2S,3R,4R,5R)-4-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyhexane-1,2,3,5,6-pentol, 9TMS
(5S,6S,7R,8R)-2,2,11,11-tetramethyl-5,6,8-tris((trimethylsilyl)oxy)-7-(((2S,3R,4S,5R,6R)-3,4,5-tris((trimethylsilyl)oxy)-6-(((trimethylsilyl)oxy)methyl)tetrahydro-2H-pyran-2-yl)oxy)-3,10-dioxa-2,11-disiladodecane |
| Wiley ID |
1818167 |
