| SpectraBase Spectrum ID |
6qu1ixdTy3W |
| Name |
Lactobionic acid, 9TMS |
| Alternate Name(s) |
Prestwick_560, 9TMS
Prestwick0_000452, 9TMS
Prestwick1_000452, 9TMS
SPBio_002463, 9TMS
EINECS 202-538-3, 9TMS
(2R,3R,4R,5R)-2,3,5,6-tetrahydroxy-4-[(2S,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyhexanoic acid, 9TMS
Trimethylsilyl (2R,3S,4R,5R)-2,3,5,6-tetrakis((trimethylsilyl)oxy)-4-(((2S,3R,4S,5S,6R)-3,4,5-tris((trimethylsilyl)oxy)-6-(((trimethylsilyl)oxy)methyl)tetrahydro-2H-pyran-2-yl)oxy)hexanoate |
| Comments |
Derivatization type: 9 TMS (mass: 1006.467); CC-BY: Oliver Fiehn, University of California, Davis; MoNA-ID: FiehnLib000447; Note: The molecular formula of the structure shown is C12H22O12 - which differs from the formula reported for the mass spectrum (C39H94O12Si9) |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C39H94O12Si9 |
| InChI |
InChI=1S/C39H94O12Si9/c1-52(2,3)41-28-30-33(46-55(10,11)12)35(48-57(16,17)18)37(50-59(22,23)24)39(43-30)44-32(31(45-54(7,8)9)29-42-53(4,5)6)34(47-56(13,14)15)36(49-58(19,20)21)38(40)51-60(25,26)27/h30-37,39H,28-29H2,1-27H3/t30-,31-,32-,33+,34+,35+,36-,37-,39+/m1/s1 |
| InChIKey |
MEJKRFWQJTYEJR-KOIYBYFSSA-N |
| Molecular Weight |
1007.934 g/mol |
| SMILES |
C([C@]([C@]([C@@]([C@](C(=O)O[Si](C)(C)C)(O[Si](C)(C)C)[H])(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 |
| SPLASH |
splash10-0uxs-0951000000-1549341e83e4dd785d7e |
| Source of Spectrum |
FM-2019-447-0 |
| Wiley ID |
1818134 |
