| SpectraBase Spectrum ID |
1OyK3RyvzmK |
| Name |
beta-gentiobiose, 8TMS |
| Alternate Name(s) |
Gentiobiose, 8TMS
EINECS 209-074-0, 8TMS
554-91-6, 8TMS
(2R,3S,4R,5R)-2,3,4,5-tetrahydroxy-6-[(3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyhexanal, 8TMS
(2R,3S,4R,5R)-2,3,4,5-tetrakis((trimethylsilyl)oxy)-6-(((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: FiehnLib000487; 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)39-27-29-32(44-52(13,14)15)34(46-54(19,20)21)35(47-55(22,23)24)36(40-29)38-26-30(42-50(7,8)9)33(45-53(16,17)18)31(43-51(10,11)12)28(25-37)41-49(4,5)6/h25,28-36H,26-27H2,1-24H3/t28-,29+,30+,31+,32+,33+,34-,35+,36?/m0/s1 |
| InChIKey |
IPOAJTXLHBAGHK-FMVHJKTISA-N |
| Molecular Weight |
919.753 g/mol |
| SMILES |
C([C@@]([C@]([C@@]([C@@](COC1[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])(O[Si](C)(C)C)[H])(O[Si](C)(C)C)[H])(O[Si](C)(C)C)[H])(O[Si](C)(C)C)[H])=O |
| SPLASH |
splash10-0udi-0951000000-8e5ca0fec426bc85710f |
| Source of Spectrum |
FM-2019-487-0 |
| Wiley ID |
1818171 |
