| SpectraBase Spectrum ID |
K3BR7B8wse2 |
| Name |
palatinitol, 9TMS |
| Alternate Name(s) |
Isomalt, 9TMS
1-O-alpha-D-Glucopyranosyl-D-mannitol, 9TMS
EINECS 244-122-4, 9TMS
20942-99-8, 9TMS
64519-82-0, 9TMS
(2R,3R,4R,5R)-6-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyhexane-1,2,3,4,5-pentol, 9TMS
(4R,5R,6R)-2,2,10,10-tetramethyl-5,6,7-tris((trimethylsilyl)oxy)-4-((((2S,3R,4S,5R,6R)-3,4,5-tris((trimethylsilyl)oxy)-6-(((trimethylsilyl)oxy)methyl)tetrahydro-2H-pyran-2-yl)oxy)methyl)-3,9-dioxa-2,10-disilaundecane |
| Comments |
Derivatization type: 9 TMS (mass: 992.488); CC-BY: Oliver Fiehn, University of California, Davis; MoNA-ID: FiehnLib000417; 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)41-29-31-34(46-55(13,14)15)37(49-58(22,23)24)38(50-59(25,26)27)39(43-31)40-28-32(44-53(7,8)9)35(47-56(16,17)18)36(48-57(19,20)21)33(45-54(10,11)12)30-42-52(4,5)6/h31-39H,28-30H2,1-27H3/t31-,32-,33?,34-,35-,36-,37+,38-,39+/m1/s1 |
| InChIKey |
MHRRBIHJBBEMLC-FBCIRLTKSA-N |
| Molecular Weight |
993.951 g/mol |
| SMILES |
C(C([C@]([C@@]([C@@](CO[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])(O[Si](C)(C)C)[H])(O[Si](C)(C)C)[H])(O[Si](C)(C)C)[H])O[Si](C)(C)C)O[Si](C)(C)C |
| SPLASH |
splash10-0uxs-0951000000-f122d262e587a4525e19 |
| Source of Spectrum |
FM-2019-417-0 |
| Wiley ID |
1818104 |
