| SpectraBase Compound ID | AjPoylDbZ6K |
|---|---|
| InChI | InChI=1S/C6H12O4/c1-4(8)6(10)5(9)2-3-7/h3-6,8-10H,2H2,1H3/t4-,5+,6-/m1/s1 |
| InChIKey | JWFRNGYBHLBCMB-NGJCXOISSA-N |
| Mol Weight | 148.16 g/mol |
| Molecular Formula | C6H12O4 |
| Exact Mass | 148.073559 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | EZpDiskH7mT |
|---|---|
| Name | digitoxose, 2TMS, 1MEOX |
| Comments | Non-derivatized structure shown; Derivatization type: 2 TMS (mass: 321.179); CC-BY: Oliver Fiehn, University of California, Davis; MoNA-ID: FiehnLib001047; Note: The molecular formula of the structure shown is C6H12O4 - which differs from the formula reported for the mass spectrum (C13H31NO4Si2) |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C13H31NO4Si2 |
| InChI | InChI=1S/C6H12O4/c1-4(8)6(10)5(9)2-3-7/h3-6,8-10H,2H2,1H3/t4-,5+,6-/m1/s1 |
| InChIKey | JWFRNGYBHLBCMB-NGJCXOISSA-N |
| Molecular Weight | 148.158 g/mol |
| SMILES | O[C@]([C@@]([C@](O)(C)[H])(O)[H])(CC=O)[H] |
| SPLASH | splash10-014i-0910000000-cbedb0526b06b25d9013 |
| Source of Spectrum | FM-2019-1047-0 |
| Synonyms | Digitoxose, 2TMS, 1MEOX D-Digitoxose, 2TMS, 1MEOX Digitoxose, D-, 2TMS, 1MEOX 2, 6-Dideoxy-D-altrose, 2TMS, 1MEOX 2,6-Dideoxy-D-ribo-hexose, 2TMS, 1MEOX Altrose, 2,6-dideoxy-, D-, 2TMS, 1MEOX 3,4,5-trihydroxyhexanal, 2TMS, 1MEOX (3S,4R,5R)-3,4,5-trihydroxyhexanal |
| Wiley ID | 1818706 |