| SpectraBase Spectrum ID |
4qoy6CyXI0 |
| Name |
Glucoheptonic acid, 7TMS |
| Alternate Name(s) |
Glucoheptonic acid minor1, 7TMS
Trimethylsilyl (2R,3R,4S,5R,6R)-2,3,4,5,6,7-hexakis((trimethylsilyl)oxy)heptanoate |
| Comments |
Derivatization type: 7 TMS (mass: 730.458); CC-BY: Oliver Fiehn, University of California, Davis; MoNA-ID: FiehnLib000627; Note: The molecular formula of the structure shown is C7H14O8 - which differs from the formula reported for the mass spectrum (C28H70O8Si7) |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C28H70O8Si7 |
| InChI |
InChI=1S/C28H70O8Si7/c1-37(2,3)30-22-23(31-38(4,5)6)24(32-39(7,8)9)25(33-40(10,11)12)26(34-41(13,14)15)27(35-42(16,17)18)28(29)36-43(19,20)21/h23-27H,22H2,1-21H3/t23-,24-,25+,26-,27-/m1/s1 |
| InChIKey |
UPRYONQLEJIRBX-IURCNINISA-N |
| Molecular Weight |
731.455 g/mol |
| SMILES |
C([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[Si](C)(C)C)[H])(O[Si](C)(C)C)[H])(O[Si](C)(C)C)[H])O[Si](C)(C)C |
| SPLASH |
splash10-014j-1940000000-1fab2c9be23e32887aeb |
| Source of Spectrum |
FM-2019-627-0 |
| Wiley ID |
1818308 |
