| SpectraBase Compound ID | 6Z61xosoTEW |
|---|---|
| InChI | InChI=1S/C42H95NO7Si6/c1-20-21-22-23-24-25-26-27-28-29-30-31-32-33-37(47-53(8,9)10)36(43-51(2,3)4)34-44-42-41(50-56(17,18)19)40(49-55(14,15)16)39(48-54(11,12)13)38(46-42)35-45-52(5,6)7/h32-33,36-43H,20-31,34-35H2,1-19H3/b33-32+/t36?,37?,38-,39-,40+,41-,42-/m1/s1 |
| InChIKey | YUYSHWJUYULIGU-XCQREWDQSA-N |
| Mol Weight | 894.7 g/mol |
| Molecular Formula | C42H95NO7Si6 |
| Exact Mass | 893.572414 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | Bz0E26JVo5V |
|---|---|
| Name | Glucosylsphingosine, N,5O-tms |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 893.572413606 u |
| Formula | C42H95NO7Si6 |
| InChI | InChI=1S/C42H95NO7Si6/c1-20-21-22-23-24-25-26-27-28-29-30-31-32-33-37(47-53(8,9)10)36(43-51(2,3)4)34-44-42-41(50-56(17,18)19)40(49-55(14,15)16)39(48-54(11,12)13)38(46-42)35-45-52(5,6)7/h32-33,36-43H,20-31,34-35H2,1-19H3/b33-32+/t36?,37?,38-,39-,40+,41-,42-/m1/s1 |
| InChIKey | YUYSHWJUYULIGU-XCQREWDQSA-N |
| Molecular Weight | 894.732 g/mol |
| SMILES | CCCCCCCCCCCCC\C=C\C(C(N[Si](C)(C)C)CO[C@]1([C@@]([C@]([C@@]([C@](O1)(CO[Si](C)(C)C)[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 |