| SpectraBase Spectrum ID |
53BSo8yeZ6 |
| Name |
sophorose, 8TMS |
| Alternate Name(s) |
Sophorose, 8TMS
CHEBI:1230, 8TMS
2-O-beta-D-Glucopyranosyl-D-glucose, 8TMS
EINECS 208-600-6, 8TMS
beta-D-glucopyranosyl-(1->2)-D-glucose, 8TMS
2-O-beta-D-Glucopyranosyl-beta-D-glucopyranose, 8TMS
(2R,3S,4R,5R)-3,4,5,6-tetrahydroxy-2-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyhexanal, 8TMS
(2R,3R,4R,5R)-3,4,5,6-tetrakis((trimethylsilyl)oxy)-2-(((2S,3R,4S,5R,6R)-3,4,5-tris((trimethylsilyl)oxy)-6-(((trimethylsilyl)oxy)methyl)tetrahydro-2H-pyran-2-yl)oxy)hexanal |
| Comments |
Derivatization type: 8 TMS (mass: 918.432); CC-BY: Oliver Fiehn, University of California, Davis; MoNA-ID: FiehnLib000616; 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)38-26-29-32(44-52(13,14)15)34(46-54(19,20)21)35(47-55(22,23)24)36(41-29)40-28(25-37)31(43-51(10,11)12)33(45-53(16,17)18)30(42-50(7,8)9)27-39-49(4,5)6/h25,28-36H,26-27H2,1-24H3/t28-,29+,30+,31+,32+,33+,34-,35+,36+/m0/s1 |
| InChIKey |
UXXXBYOCJHWUAV-ATJJDWBMSA-N |
| Molecular Weight |
919.753 g/mol |
| SMILES |
C([C@]([C@]([C@@]([C@](C=O)(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)[H])O[Si](C)(C)C |
| SPLASH |
splash10-0uxs-0941000000-6ecda42febd024638f93 |
| Source of Spectrum |
FM-2019-616-0 |
| Wiley ID |
1818297 |
