| SpectraBase Spectrum ID |
VloRKh0JSy |
| Name |
arbutin, 5TMS |
| Alternate Name(s) |
Arbutoside, 5TMS
Uvasol, 5TMS
Ursin, 5TMS
p-Arbutin, 5TMS
NSC4036, 5TMS
2-(hydroxymethyl)-6-(4-hydroxyphenoxy)oxane-3,4,5-triol, 5TMS
(((2R,3R,4S,5R,6S)-2-(((trimethylsilyl)oxy)methyl)-6-(4-((trimethylsilyl)oxy)phenoxy)tetrahydro-2H-pyran-3,4,5-triyl)tris(oxy))tris(trimethylsilane) |
| Comments |
Derivatization type: 5 TMS (mass: 632.287); CC-BY: Oliver Fiehn, University of California, Davis; MoNA-ID: FiehnLib000080; Note: The molecular formula of the structure shown is C12H16O7 - which differs from the formula reported for the mass spectrum (C27H56O7Si5) |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C27H56O7Si5 |
| InChI |
InChI=1S/C27H56O7Si5/c1-35(2,3)28-20-23-24(32-37(7,8)9)25(33-38(10,11)12)26(34-39(13,14)15)27(30-23)29-21-16-18-22(19-17-21)31-36(4,5)6/h16-19,23-27H,20H2,1-15H3/t23-,24-,25+,26-,27-/m1/s1 |
| InChIKey |
OGZFKTDPKHLLEW-IURCNINISA-N |
| Molecular Weight |
633.163 g/mol |
| SMILES |
c1cc(ccc1O[Si](C)(C)C)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] |
| SPLASH |
splash10-0uxs-0940000000-9984522469f86670798f |
| Source of Spectrum |
FM-2019-80-0 |
| Wiley ID |
1817776 |
