| SpectraBase Compound ID | 3TZJ9WxbVph |
|---|---|
| InChI | InChI=1S/C58H110O18Si8/c1-59-41-29-37(30-42(60-2)49(41)69-57-55(75-83(23,24)25)53(73-81(17,18)19)51(71-79(11,12)13)45(67-57)35-65-77(5,6)7)47-39-33-64-48(40(39)34-63-47)38-31-43(61-3)50(44(32-38)62-4)70-58-56(76-84(26,27)28)54(74-82(20,21)22)52(72-80(14,15)16)46(68-58)36-66-78(8,9)10/h29-32,39-40,45-48,51-58H,33-36H2,1-28H3/t39-,40+,45-,46-,47+,48-,51-,52-,53+,54+,55-,56-,57+,58+/m1/s1 |
| InChIKey | LHKLWJGIDNJZFE-KWXYARIWSA-N |
| Mol Weight | 1320.2 g/mol |
| Molecular Formula | C58H110O18Si8 |
| Exact Mass | 1318.584629 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | kQGtilcJfu |
|---|---|
| Name | Eleutheroside E, octa-TMS |
| Copyright | Database Compilation Copyright © 2023-2024 John Wiley and Sons, Inc. Copyright © 2023-2024 John Wiley and Sons, Inc., Portions Copyright Wiley-VCH GmbH, Adams Library under license from Diablo Analytical. All Rights Reserved. |
| Exact Mass | 1318.584628964 u |
| Formula | C58H110O18Si8 |
| GC Column | HP-5ms (30 m × 0.25 mm ID x 0.25 μm film thickness) |
| InChI | InChI=1S/C58H110O18Si8/c1-59-41-29-37(30-42(60-2)49(41)69-57-55(75-83(23,24)25)53(73-81(17,18)19)51(71-79(11,12)13)45(67-57)35-65-77(5,6)7)47-39-33-64-48(40(39)34-63-47)38-31-43(61-3)50(44(32-38)62-4)70-58-56(76-84(26,27)28)54(74-82(20,21)22)52(72-80(14,15)16)46(68-58)36-66-78(8,9)10/h29-32,39-40,45-48,51-58H,33-36H2,1-28H3/t39-,40+,45-,46-,47+,48-,51-,52-,53+,54+,55-,56-,57+,58+/m1/s1 |
| InChIKey | LHKLWJGIDNJZFE-KWXYARIWSA-N |
| Molecular Weight | 1320.180 g/mol |
| Nominal Mass | 1318 u |
| Number of Peaks | 566 |
| SMILES | COc1cc(cc(OC)c1O[C@@]1(O[C@](CO[Si](C)(C)C)([C@@](O[Si](C)(C)C)([C@](O[Si](C)(C)C)([C@]1(O[Si](C)(C)C)[H])[H])[H])[H])[H])[C@]1(OC[C@@]2([C@@]1(CO[C@]2(c1cc(OC)c(O[C@@]2(O[C@](CO[Si](C)(C)C)([C@@](O[Si](C)(C)C)([C@](O[Si](C)(C)C)([C@]2(O[Si](C)(C)C)[H])[H])[H])[H])[H])c(OC)c1)[H])[H])[H])[H] |
| SPLASH | splash10-00xr-7793100000-b233f754953fd808a38b |
| Source of Spectrum | Biologically and Environmentally Important Organic Compounds: GCMS Library |
| Wiley ID | VI001964 |