| SpectraBase Spectrum ID |
9tp9gkBf160 |
| Name |
Lactulose, 8TMS |
| Comments |
Derivatization type: 8 TMS (mass: 918.432); CC-BY: Oliver Fiehn, University of California, Davis; MoNA-ID: FiehnLib000309; 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)37-25-28-30(43-51(10,11)12)32(44-52(13,14)15)33(45-53(16,17)18)35(40-28)41-31-29(26-38-49(4,5)6)42-36(47-55(22,23)24,27-39-50(7,8)9)34(31)46-54(19,20)21/h28-35H,25-27H2,1-24H3/t28-,29-,30+,31-,32+,33-,34+,35+,36+/m1/s1 |
| InChIKey |
GAHZLIHEAJXJMO-VQGSHKGZSA-N |
| Molecular Weight |
919.753 g/mol |
| SMILES |
C([C@@]1([C@@]([C@@]([C@]([C@@](O1)(O[C@@]1([C@@](CO[Si](C)(C)C)(O[C@](CO[Si](C)(C)C)([C@]1(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)[H])[H])O[Si](C)(C)C |
| SPLASH |
splash10-0uxr-0951000000-d976341b4e779d2fcb68 |
| Source of Spectrum |
FM-2019-309-0 |
| Synonyms |
Chronulac, 8TMS
Cephulac, 8TMS
Isolactose, 8TMS
Bifiteral, 8TMS
Duphalac, 8TMS
(2S,3R,4S,5R,6R)-2-[(2R,3S,4S,5R)-4,5-dihydroxy-2,5-bis(hydroxymethyl)oxolan-3-yl]oxy-6-(hydroxymethyl)oxane-3,4,5-triol, 8TMS
(((2S,3R,4S,5S,6R)-2-(((2R,3R,4S,5S)-4,5-bis((trimethylsilyl)oxy)-2,5-bis(((trimethylsilyl)oxy)methyl)tetrahydrofuran-3-yl)oxy)-6-(((trimethylsilyl)oxy)methyl)tetrahydro-2H-pyran-3,4,5-triyl)tris(oxy))tris(trimethylsilane) |
| Wiley ID |
1817996 |
