| SpectraBase Spectrum ID |
9vryt9LecLv |
| Name |
beta-mannosylglycerate, 6TMS |
| Alternate Name(s) |
firoin, CAS 164324-35-0, 6TMS
Trimethylsilyl (R)-3-((trimethylsilyl)oxy)-2-(((2R,3S,4S,5R,6R)-3,4,5-tris((trimethylsilyl)oxy)-6-(((trimethylsilyl)oxy)methyl)tetrahydro-2H-pyran-2-yl)oxy)propanoate |
| Comments |
Derivatization type: 6 TMS (mass: 700.317); CC-BY: Oliver Fiehn, University of California, Davis; MoNA-ID: FiehnLib000983; Note: The molecular formula of the structure shown is C9H16O9 - which differs from the formula reported for the mass spectrum (C27H64O9Si6) |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C27H64O9Si6 |
| InChI |
InChI=1S/C27H64O9Si6/c1-37(2,3)29-19-21-23(33-39(7,8)9)24(34-40(10,11)12)25(35-41(13,14)15)27(31-21)32-22(20-30-38(4,5)6)26(28)36-42(16,17)18/h21-25,27H,19-20H2,1-18H3/t21-,22-,23-,24+,25+,27-/m1/s1 |
| InChIKey |
IOXVIQFNWGYGEP-GJBOTHQUSA-N |
| Molecular Weight |
701.310 g/mol |
| SMILES |
C([C@@]1([C@]([C@@]([C@@]([C@](O1)(O[C@](CO[Si](C)(C)C)(C(=O)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])[H])O[Si](C)(C)C |
| SPLASH |
splash10-0fr2-0920000000-8f9774c3cfd4aa302923 |
| Source of Spectrum |
FM-2019-983-0 |
| Wiley ID |
1818643 |
