| SpectraBase Spectrum ID |
DLgtex1azZJ |
| Name |
galactinol, 9TMS |
| Alternate Name(s) |
Galactinol, 9TMS
1-Alpha-D-Galactosyl-myo-inositol, 9TMS
1-O-alpha-D-Galactosyl-D-myo-inositol, 9TMS
C01235, 9TMS
(1R,2R,4S,5R)-6-[(2R,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxycyclohexane-1,2,3,4,5-pentol, 9TMS
(((1S,2R,4S,5S)-6-(((2R,3R,4S,5S,6R)-3,4,5-tris((trimethylsilyl)oxy)-6-(((trimethylsilyl)oxy)methyl)tetrahydro-2H-pyran-2-yl)oxy)cyclohexane-1,2,3,4,5-pentayl)pentakis(oxy))pentakis(trimethylsilane) |
| Comments |
Derivatization type: 9 TMS (mass: 990.472); CC-BY: Oliver Fiehn, University of California, Davis; MoNA-ID: FiehnLib000520; Note: The molecular formula of the structure shown is C12H22O11 - which differs from the formula reported for the mass spectrum (C39H94O11Si9) |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C39H94O11Si9 |
| InChI |
InChI=1S/C39H94O11Si9/c1-51(2,3)40-28-29-30(43-52(4,5)6)32(44-53(7,8)9)38(50-59(25,26)27)39(41-29)42-31-33(45-54(10,11)12)35(47-56(16,17)18)37(49-58(22,23)24)36(48-57(19,20)21)34(31)46-55(13,14)15/h29-39H,28H2,1-27H3/t29-,30+,31?,32+,33+,34+,35-,36+,37?,38-,39-/m1/s1 |
| InChIKey |
ZEMVMEYROARRMK-BDUKNGNHSA-N |
| Molecular Weight |
991.935 g/mol |
| SMILES |
C([C@@]1([C@@]([C@@]([C@]([C@](O1)(OC1[C@@]([C@@](C([C@@]([C@]1(O[Si](C)(C)C)[H])(O[Si](C)(C)C)[H])O[Si](C)(C)C)(O[Si](C)(C)C)[H])(O[Si](C)(C)C)[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 |
splash10-0udi-0971000000-ac5f985abe605d6084be |
| Source of Spectrum |
FM-2019-520-0 |
| Wiley ID |
1818204 |
